tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane

C83H105ClN20O9 — CID 164991453

IUPACtert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane
SMILESC.CC(C)(C)OC(=O)N1CC[C@H](CN)[C@@H](O)C1.[C-]#[N+]c1cccc(N(C(=O)OC(C)(C)C)c2cc(Cl)nc3c(C4CC4)cnn23)c1.[C-]#[N+]c1cccc(N(C(=O)OC(C)(C)C)c2cc(NC[C@H]3CCCC[C@@H]3O)nc3c(C4CC4)cnn23)c1.[C-]#[N+]c1cccc(Nc2cc(NC[C@H]3CCNC[C@@H]3O)nc3c(C4CC4)cnn23)c1
InChIInChI=1S/C28H34N6O3.C22H25N7O.C21H20ClN5O2.C11H22N2O3.CH4/c1-28(2,3)37-27(36)33(21-10-7-9-20(14-21)29-4)25-15-24(30-16-19-8-5-6-11-23(19)35)32-26-22(18-12-13-18)17-31-34(25)26;1-23-16-3-2-4-17(9-16)27-21-10-20(25-11-15-7-8-24-13-19(15)30)28-22-18(14-5-6-14)12-26-29(21)22;1-21(2,3)29-20(28)26(15-7-5-6-14(10-15)23-4)18-11-17(22)25-19-16(13-8-9-13)12-24-27(18)19;1-11(2,3)16-10(15)13-5-4-8(6-12)9(14)7-13;/h7,9-10,14-15,17-19,23,35H,5-6,8,11-13,16H2,1-3H3,(H,30,32);2-4,9-10,12,14-15,19,24,27,30H,5-8,11,13H2,(H,25,28);5-7,10-13H,8-9H2,1-3H3;8-9,14H,4-7,12H2,1-3H3;1H4/t19-,23+;15-,19+;;8-,9+;/m11.1./s1
InChIKeyGXKZHSKCUMGOBM-RDCMDKNUSA-N
MW1562.34 g/mol
LogP16.56
Rot. Bonds16

About tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane

tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane (PubChem CID 164991453) has the molecular formula C83H105ClN20O9 and a molecular weight of 1562.34 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane.

Molecular Properties

Compound Nametert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane
PubChem CID164991453
Molecular FormulaC83H105ClN20O9
Molecular Weight1562.34 g/mol
Exact Mass1560.81
IUPAC Nametert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane
SMILESC.CC(C)(C)OC(=O)N1CC[C@H](CN)[C@@H](O)C1.[C-]#[N+]c1cccc(N(C(=O)OC(C)(C)C)c2cc(Cl)nc3c(C4CC4)cnn23)c1.[C-]#[N+]c1cccc(N(C(=O)OC(C)(C)C)c2cc(NC[C@H]3CCCC[C@@H]3O)nc3c(C4CC4)cnn23)c1.[C-]#[N+]c1cccc(Nc2cc(NC[C@H]3CCNC[C@@H]3O)nc3c(C4CC4)cnn23)c1
InChIInChI=1S/C28H34N6O3.C22H25N7O.C21H20ClN5O2.C11H22N2O3.CH4/c1-28(2,3)37-27(36)33(21-10-7-9-20(14-21)29-4)25-15-24(30-16-19-8-5-6-11-23(19)35)32-26-22(18-12-13-18)17-31-34(25)26;1-23-16-3-2-4-17(9-16)27-21-10-20(25-11-15-7-8-24-13-19(15)30)28-22-18(14-5-6-14)12-26-29(21)22;1-21(2,3)29-20(28)26(15-7-5-6-14(10-15)23-4)18-11-17(22)25-19-16(13-8-9-13)12-24-27(18)19;1-11(2,3)16-10(15)13-5-4-8(6-12)9(14)7-13;/h7,9-10,14-15,17-19,23,35H,5-6,8,11-13,16H2,1-3H3,(H,30,32);2-4,9-10,12,14-15,19,24,27,30H,5-8,11,13H2,(H,25,28);5-7,10-13H,8-9H2,1-3H3;8-9,14H,4-7,12H2,1-3H3;1H4/t19-,23+;15-,19+;;8-,9+;/m11.1./s1
InChIKeyGXKZHSKCUMGOBM-RDCMDKNUSA-N
XLogP16.56
TPSA327.10 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001562.34
LogP ≤ 516.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane with MolForge

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Related Compounds

(2R)-7-amino-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol;tert-butyl N-[(6R)-6-amino-7-[tert-butyl(dimethyl)silyl]oxyheptyl]carbamate;tert-butyl N-[5-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-2-yl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate;tert-butyl N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-[[(2R)-1-hydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-2-yl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]carbamate;5-chloro-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;oxolane
CID 157064057
Tert-butyl 4-[[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate;[4-(4-chlorophenyl)-1-[2-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol
CID 157737365
2-[(2R)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;N-[3-[[[3-ethyl-5-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2R)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
CID 158324108
Tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[4-(4-chlorophenyl)-1-[2-[(1-piperidin-4-ylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol
CID 158383678
2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
CID 158829044
N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;tert-butyl N-benzyl-N-[3-propan-2-yl-5-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;oxolane;propan-2-amine
CID 158894831
(3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;7-N-benzyl-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;cis-(1S,2R)-2-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol
CID 158940756
2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[4-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
CID 159275684
Tert-butyl 4-[[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate;[4-(4-chlorophenyl)-1-[2-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;methane
CID 159297640
(2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]-9-(6-fluoro-3-pyridinyl)nonan-1-ol;tert-butyl N-benzyl-N-[5-[[(2R)-9-(6-fluoro-3-pyridinyl)-1-hydroxynonan-2-yl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]carbamate;methanol;hydrochloride
CID 159512678
2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
CID 160173932
2-[(2S)-1-[7-[(3-aminocyclohexyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
CID 160339192

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane?
The IUPAC name of tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane (CID 164991453) is tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane.
What is the SMILES notation for tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane?
The canonical SMILES for tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane is C.CC(C)(C)OC(=O)N1CC[C@H](CN)[C@@H](O)C1.[C-]#[N+]c1cccc(N(C(=O)OC(C)(C)C)c2cc(Cl)nc3c(C4CC4)cnn23)c1.[C-]#[N+]c1cccc(N(C(=O)OC(C)(C)C)c2cc(NC[C@H]3CCCC[C@@H]3O)nc3c(C4CC4)cnn23)c1.[C-]#[N+]c1cccc(Nc2cc(NC[C@H]3CCNC[C@@H]3O)nc3c(C4CC4)cnn23)c1.
What is the InChIKey of tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane?
The InChIKey is GXKZHSKCUMGOBM-RDCMDKNUSA-N. The full InChI is InChI=1S/C28H34N6O3.C22H25N7O.C21H20ClN5O2.C11H22N2O3.CH4/c1-28(2,3)37-27(36)33(21-10-7-9-20(14-21)29-4)25-15-24(30-16-19-8-5-6-11-23(19)35)32-26-22(18-12-13-18)17-31-34(25)26;1-23-16-3-2-4-17(9-16)27-21-10-20(25-11-15-7-8-24-13-19(15)30)28-22-18(14-5-6-14)12-26-29(21)22;1-21(2,3)29-20(28)26(15-7-5-6-14(10-15)23-4)18-11-17(22)25-19-16(13-8-9-13)12-24-27(18)19;1-11(2,3)16-10(15)13-5-4-8(6-12)9(14)7-13;/h7,9-10,14-15,17-19,23,35H,5-6,8,11-13,16H2,1-3H3,(H,30,32);2-4,9-10,12,14-15,19,24,27,30H,5-8,11,13H2,(H,25,28);5-7,10-13H,8-9H2,1-3H3;8-9,14H,4-7,12H2,1-3H3;1H4/t19-,23+;15-,19+;;8-,9+;/m11.1./s1.
What are the key properties of tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane?
tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane has a molecular weight of 1562.34 g/mol, XLogP of 16.56, 16 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane is sourced from PubChem (CID 164991453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).