tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;chloro(trimethyl)silane;[1-[(dimethylamino)methyl]cyclopropyl]methanol;2-fluoroprop-2-enoic acid

C141H174Cl5F2N23O17SSi — CID 164955338

IUPACtert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;chloro(trimethyl)silane;[1-[(dimethylamino)methyl]cyclopropyl]methanol;2-fluoroprop-2-enoic acid
SMILESC=C(F)C(=O)N1CCN(c2nc(OCC3(CN(C)C)CC3)nc3c2COC(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N.C=C(F)C(=O)O.CC(C)(C)OC(=O)N1CCN(c2nc(S(C)(=O)=O)nc3c2COC(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N.CN(C)CC1(CO)CC1.CN(C)CC1(COc2nc3c(c(N4CCC[C@@H](CC#N)C4)n2)COC(c2cccc4cccc(Cl)c24)C3)CC1.CN(C)CC1(COc2nc3c(c(N4CCN(C(=O)OC(C)(C)C)[C@@H](CC#N)C4)n2)COC(c2cccc4cccc(Cl)c24)C3)CC1.C[Si](C)(C)Cl
InChIInChI=1S/C35H43ClN6O4.C33H36ClFN6O3.C31H36ClN5O2.C29H32ClN5O5S.C7H15NO.C3H9ClSi.C3H3FO2/c1-34(2,3)46-33(43)42-17-16-41(19-24(42)12-15-37)31-26-20-44-29(25-10-6-8-23-9-7-11-27(36)30(23)25)18-28(26)38-32(39-31)45-22-35(13-14-35)21-40(4)5;1-21(35)31(42)41-15-14-40(17-23(41)10-13-36)30-25-18-43-28(24-8-4-6-22-7-5-9-26(34)29(22)24)16-27(25)37-32(38-30)44-20-33(11-12-33)19-39(2)3;1-36(2)19-31(12-13-31)20-39-30-34-26-16-27(23-9-3-7-22-8-4-10-25(32)28(22)23)38-18-24(26)29(35-30)37-15-5-6-21(17-37)11-14-33;1-29(2,3)40-28(36)35-14-13-34(16-19(35)11-12-31)26-21-17-39-24(15-23(21)32-27(33-26)41(4,37)38)20-9-5-7-18-8-6-10-22(30)25(18)20;1-8(2)5-7(6-9)3-4-7;1-5(2,3)4;1-2(4)3(5)6/h6-11,24,29H,12-14,16-22H2,1-5H3;4-9,23,28H,1,10-12,14-20H2,2-3H3;3-4,7-10,21,27H,5-6,11-13,15-20H2,1-2H3;5-10,19,24H,11,13-17H2,1-4H3;9H,3-6H2,1-2H3;1-3H3;1H2,(H,5,6)/t24-,29?;23-,28?;21-,27?;19-,24?;;;/m0000.../s1
InChIKeyBCCNRBUHLCVKFA-KVXQBDNBSA-N
MW2738.50 g/mol
LogP25.11
Rot. Bonds33

About tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;chloro(trimethyl)silane;[1-[(dimethylamino)methyl]cyclopropyl]methanol;2-fluoroprop-2-enoic acid

tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;chloro(trimethyl)silane;[1-[(dimethylamino)methyl]cyclopropyl]methanol;2-fluoroprop-2-enoic acid (PubChem CID 164955338) has the molecular formula C141H174Cl5F2N23O17SSi and a molecular weight of 2738.50 g/mol. Its IUPAC name is tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;chloro(trimethyl)silane;[1-[(dimethylamino)methyl]cyclopropyl]methanol;2-fluoroprop-2-enoic acid.

Molecular Properties

Compound Nametert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;chloro(trimethyl)silane;[1-[(dimethylamino)methyl]cyclopropyl]methanol;2-fluoroprop-2-enoic acid
PubChem CID164955338
Molecular FormulaC141H174Cl5F2N23O17SSi
Molecular Weight2738.50 g/mol
Exact Mass2734.14
IUPAC Nametert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;chloro(trimethyl)silane;[1-[(dimethylamino)methyl]cyclopropyl]methanol;2-fluoroprop-2-enoic acid
SMILESC=C(F)C(=O)N1CCN(c2nc(OCC3(CN(C)C)CC3)nc3c2COC(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N.C=C(F)C(=O)O.CC(C)(C)OC(=O)N1CCN(c2nc(S(C)(=O)=O)nc3c2COC(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N.CN(C)CC1(CO)CC1.CN(C)CC1(COc2nc3c(c(N4CCC[C@@H](CC#N)C4)n2)COC(c2cccc4cccc(Cl)c24)C3)CC1.CN(C)CC1(COc2nc3c(c(N4CCN(C(=O)OC(C)(C)C)[C@@H](CC#N)C4)n2)COC(c2cccc4cccc(Cl)c24)C3)CC1.C[Si](C)(C)Cl
InChIInChI=1S/C35H43ClN6O4.C33H36ClFN6O3.C31H36ClN5O2.C29H32ClN5O5S.C7H15NO.C3H9ClSi.C3H3FO2/c1-34(2,3)46-33(43)42-17-16-41(19-24(42)12-15-37)31-26-20-44-29(25-10-6-8-23-9-7-11-27(36)30(23)25)18-28(26)38-32(39-31)45-22-35(13-14-35)21-40(4)5;1-21(35)31(42)41-15-14-40(17-23(41)10-13-36)30-25-18-43-28(24-8-4-6-22-7-5-9-26(34)29(22)24)16-27(25)37-32(38-30)44-20-33(11-12-33)19-39(2)3;1-36(2)19-31(12-13-31)20-39-30-34-26-16-27(23-9-3-7-22-8-4-10-25(32)28(22)23)38-18-24(26)29(35-30)37-15-5-6-21(17-37)11-14-33;1-29(2,3)40-28(36)35-14-13-34(16-19(35)11-12-31)26-21-17-39-24(15-23(21)32-27(33-26)41(4,37)38)20-9-5-7-18-8-6-10-22(30)25(18)20;1-8(2)5-7(6-9)3-4-7;1-5(2,3)4;1-2(4)3(5)6/h6-11,24,29H,12-14,16-22H2,1-5H3;4-9,23,28H,1,10-12,14-20H2,2-3H3;3-4,7-10,21,27H,5-6,11-13,15-20H2,1-2H3;5-10,19,24H,11,13-17H2,1-4H3;9H,3-6H2,1-2H3;1-3H3;1H2,(H,5,6)/t24-,29?;23-,28?;21-,27?;19-,24?;;;/m0000.../s1
InChIKeyBCCNRBUHLCVKFA-KVXQBDNBSA-N
XLogP25.11
TPSA459.87 Ų
H-Bond Donors2
H-Bond Acceptors36
Rotatable Bonds33
Heavy Atoms190
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002738.50
LogP ≤ 525.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;chloro(trimethyl)silane;[1-[(dimethylamino)methyl]cyclopropyl]methanol;2-fluoroprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;chloro(trimethyl)silane;[1-[(dimethylamino)methyl]cyclopropyl]methanol;2-fluoroprop-2-enoic acid?
The IUPAC name of tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;chloro(trimethyl)silane;[1-[(dimethylamino)methyl]cyclopropyl]methanol;2-fluoroprop-2-enoic acid (CID 164955338) is tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;chloro(trimethyl)silane;[1-[(dimethylamino)methyl]cyclopropyl]methanol;2-fluoroprop-2-enoic acid.
What is the SMILES notation for tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;chloro(trimethyl)silane;[1-[(dimethylamino)methyl]cyclopropyl]methanol;2-fluoroprop-2-enoic acid?
The canonical SMILES for tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;chloro(trimethyl)silane;[1-[(dimethylamino)methyl]cyclopropyl]methanol;2-fluoroprop-2-enoic acid is C=C(F)C(=O)N1CCN(c2nc(OCC3(CN(C)C)CC3)nc3c2COC(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N.C=C(F)C(=O)O.CC(C)(C)OC(=O)N1CCN(c2nc(S(C)(=O)=O)nc3c2COC(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N.CN(C)CC1(CO)CC1.CN(C)CC1(COc2nc3c(c(N4CCC[C@@H](CC#N)C4)n2)COC(c2cccc4cccc(Cl)c24)C3)CC1.CN(C)CC1(COc2nc3c(c(N4CCN(C(=O)OC(C)(C)C)[C@@H](CC#N)C4)n2)COC(c2cccc4cccc(Cl)c24)C3)CC1.C[Si](C)(C)Cl.
What is the InChIKey of tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;chloro(trimethyl)silane;[1-[(dimethylamino)methyl]cyclopropyl]methanol;2-fluoroprop-2-enoic acid?
The InChIKey is BCCNRBUHLCVKFA-KVXQBDNBSA-N. The full InChI is InChI=1S/C35H43ClN6O4.C33H36ClFN6O3.C31H36ClN5O2.C29H32ClN5O5S.C7H15NO.C3H9ClSi.C3H3FO2/c1-34(2,3)46-33(43)42-17-16-41(19-24(42)12-15-37)31-26-20-44-29(25-10-6-8-23-9-7-11-27(36)30(23)25)18-28(26)38-32(39-31)45-22-35(13-14-35)21-40(4)5;1-21(35)31(42)41-15-14-40(17-23(41)10-13-36)30-25-18-43-28(24-8-4-6-22-7-5-9-26(34)29(22)24)16-27(25)37-32(38-30)44-20-33(11-12-33)19-39(2)3;1-36(2)19-31(12-13-31)20-39-30-34-26-16-27(23-9-3-7-22-8-4-10-25(32)28(22)23)38-18-24(26)29(35-30)37-15-5-6-21(17-37)11-14-33;1-29(2,3)40-28(36)35-14-13-34(16-19(35)11-12-31)26-21-17-39-24(15-23(21)32-27(33-26)41(4,37)38)20-9-5-7-18-8-6-10-22(30)25(18)20;1-8(2)5-7(6-9)3-4-7;1-5(2,3)4;1-2(4)3(5)6/h6-11,24,29H,12-14,16-22H2,1-5H3;4-9,23,28H,1,10-12,14-20H2,2-3H3;3-4,7-10,21,27H,5-6,11-13,15-20H2,1-2H3;5-10,19,24H,11,13-17H2,1-4H3;9H,3-6H2,1-2H3;1-3H3;1H2,(H,5,6)/t24-,29?;23-,28?;21-,27?;19-,24?;;;/m0000.../s1.
What are the key properties of tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;chloro(trimethyl)silane;[1-[(dimethylamino)methyl]cyclopropyl]methanol;2-fluoroprop-2-enoic acid?
tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;chloro(trimethyl)silane;[1-[(dimethylamino)methyl]cyclopropyl]methanol;2-fluoroprop-2-enoic acid has a molecular weight of 2738.50 g/mol, XLogP of 25.11, 33 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl (2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-(8-chloronaphthalen-1-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;chloro(trimethyl)silane;[1-[(dimethylamino)methyl]cyclopropyl]methanol;2-fluoroprop-2-enoic acid is sourced from PubChem (CID 164955338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).