N-[1-[2-[4-[(3R)-3-cyanopiperidin-1-yl]piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-ethylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-ethylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate

C110H118F8N30O14S2 — CID 165005389

IUPACN-[1-[2-[4-[(3R)-3-cyanopiperidin-1-yl]piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-ethylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-ethylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate
SMILESCCc1ccc(OC(F)F)c(-c2nn(CC(=O)N3CCC(CN4CCN(C(=O)OC)CC4)CC3)cc2NC(=O)c2cnn3cccnc23)c1.CCc1ccc(OC(F)F)c(-c2nn(CC(=O)N3CCC(N4CCC[C@@H](C#N)C4)CC3)cc2NC(=O)c2cnn3cccnc23)c1.CSc1ccc(OC(F)F)c(-c2nn(C3CCOCC3)cc2NC(=O)c2cnn3cccnc23)c1.CSc1ccc(OC(F)F)c(-c2nn(CC(C)(C)O)cc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C33H39F2N9O5.C32H35F2N9O3.C23H22F2N6O3S.C22H22F2N6O3S/c1-3-22-5-6-27(49-32(34)35)24(17-22)29-26(38-31(46)25-18-37-44-10-4-9-36-30(25)44)20-43(39-29)21-28(45)41-11-7-23(8-12-41)19-40-13-15-42(16-14-40)33(47)48-2;1-2-21-6-7-27(46-32(33)34)24(15-21)29-26(38-31(45)25-17-37-43-12-4-10-36-30(25)43)19-42(39-29)20-28(44)40-13-8-23(9-14-40)41-11-3-5-22(16-35)18-41;1-35-15-3-4-19(34-23(24)25)16(11-15)20-18(13-31(29-20)14-5-9-33-10-6-14)28-22(32)17-12-27-30-8-2-7-26-21(17)30;1-22(2,32)12-29-11-16(27-20(31)15-10-26-30-8-4-7-25-19(15)30)18(28-29)14-9-13(34-3)5-6-17(14)33-21(23)24/h4-6,9-10,17-18,20,23,32H,3,7-8,11-16,19,21H2,1-2H3,(H,38,46);4,6-7,10,12,15,17,19,22-23,32H,2-3,5,8-9,11,13-14,18,20H2,1H3,(H,38,45);2-4,7-8,11-14,23H,5-6,9-10H2,1H3,(H,28,32);4-11,21,32H,12H2,1-3H3,(H,27,31)/t;22-;;/m.0../s1
InChIKeyIWPQFCGEBYSETP-HRRNSCMASA-N
MW2300.47 g/mol
LogP16.33
Rot. Bonds34

About N-[1-[2-[4-[(3R)-3-cyanopiperidin-1-yl]piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-ethylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-ethylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate

N-[1-[2-[4-[(3R)-3-cyanopiperidin-1-yl]piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-ethylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-ethylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate (PubChem CID 165005389) has the molecular formula C110H118F8N30O14S2 and a molecular weight of 2300.47 g/mol. Its IUPAC name is N-[1-[2-[4-[(3R)-3-cyanopiperidin-1-yl]piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-ethylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-ethylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound NameN-[1-[2-[4-[(3R)-3-cyanopiperidin-1-yl]piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-ethylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-ethylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate
PubChem CID165005389
Molecular FormulaC110H118F8N30O14S2
Molecular Weight2300.47 g/mol
Exact Mass2298.88
IUPAC NameN-[1-[2-[4-[(3R)-3-cyanopiperidin-1-yl]piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-ethylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-ethylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate
SMILESCCc1ccc(OC(F)F)c(-c2nn(CC(=O)N3CCC(CN4CCN(C(=O)OC)CC4)CC3)cc2NC(=O)c2cnn3cccnc23)c1.CCc1ccc(OC(F)F)c(-c2nn(CC(=O)N3CCC(N4CCC[C@@H](C#N)C4)CC3)cc2NC(=O)c2cnn3cccnc23)c1.CSc1ccc(OC(F)F)c(-c2nn(C3CCOCC3)cc2NC(=O)c2cnn3cccnc23)c1.CSc1ccc(OC(F)F)c(-c2nn(CC(C)(C)O)cc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C33H39F2N9O5.C32H35F2N9O3.C23H22F2N6O3S.C22H22F2N6O3S/c1-3-22-5-6-27(49-32(34)35)24(17-22)29-26(38-31(46)25-18-37-44-10-4-9-36-30(25)44)20-43(39-29)21-28(45)41-11-7-23(8-12-41)19-40-13-15-42(16-14-40)33(47)48-2;1-2-21-6-7-27(46-32(33)34)24(15-21)29-26(38-31(45)25-17-37-43-12-4-10-36-30(25)43)19-42(39-29)20-28(44)40-13-8-23(9-14-40)41-11-3-5-22(16-35)18-41;1-35-15-3-4-19(34-23(24)25)16(11-15)20-18(13-31(29-20)14-5-9-33-10-6-14)28-22(32)17-12-27-30-8-2-7-26-21(17)30;1-22(2,32)12-29-11-16(27-20(31)15-10-26-30-8-4-7-25-19(15)30)18(28-29)14-9-13(34-3)5-6-17(14)33-21(23)24/h4-6,9-10,17-18,20,23,32H,3,7-8,11-16,19,21H2,1-2H3,(H,38,46);4,6-7,10,12,15,17,19,22-23,32H,2-3,5,8-9,11,13-14,18,20H2,1H3,(H,38,45);2-4,7-8,11-14,23H,5-6,9-10H2,1H3,(H,28,32);4-11,21,32H,12H2,1-3H3,(H,27,31)/t;22-;;/m.0../s1
InChIKeyIWPQFCGEBYSETP-HRRNSCMASA-N
XLogP16.33
TPSA475.25 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds34
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002300.47
LogP ≤ 516.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Analyze N-[1-[2-[4-[(3R)-3-cyanopiperidin-1-yl]piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-ethylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-ethylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate with MolForge

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Related Compounds

N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129178181
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-oxo-2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129178058
CID 174019489
CID 174019489
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129177966
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129178222
N-[1-[2-[4-(3-cyanopropylamino)piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129178221
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129164794
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129177990
[[3-[2-(difluoromethoxy)-5-(1,3-difluoropropan-2-ylsulfanyl)phenyl]-1-[2-[4-[(4-methoxycarbonylpiperazin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]amino]-oxo-pyrazolo[1,5-a]pyrimidin-3-ylazanium
CID 162705719
N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135191775
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129164837
N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[2-oxo-2-[4-[4-(2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421572

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-[(3R)-3-cyanopiperidin-1-yl]piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-ethylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-ethylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of N-[1-[2-[4-[(3R)-3-cyanopiperidin-1-yl]piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-ethylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-ethylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate (CID 165005389) is N-[1-[2-[4-[(3R)-3-cyanopiperidin-1-yl]piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-ethylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-ethylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for N-[1-[2-[4-[(3R)-3-cyanopiperidin-1-yl]piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-ethylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-ethylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for N-[1-[2-[4-[(3R)-3-cyanopiperidin-1-yl]piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-ethylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-ethylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate is CCc1ccc(OC(F)F)c(-c2nn(CC(=O)N3CCC(CN4CCN(C(=O)OC)CC4)CC3)cc2NC(=O)c2cnn3cccnc23)c1.CCc1ccc(OC(F)F)c(-c2nn(CC(=O)N3CCC(N4CCC[C@@H](C#N)C4)CC3)cc2NC(=O)c2cnn3cccnc23)c1.CSc1ccc(OC(F)F)c(-c2nn(C3CCOCC3)cc2NC(=O)c2cnn3cccnc23)c1.CSc1ccc(OC(F)F)c(-c2nn(CC(C)(C)O)cc2NC(=O)c2cnn3cccnc23)c1.
What is the InChIKey of N-[1-[2-[4-[(3R)-3-cyanopiperidin-1-yl]piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-ethylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-ethylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate?
The InChIKey is IWPQFCGEBYSETP-HRRNSCMASA-N. The full InChI is InChI=1S/C33H39F2N9O5.C32H35F2N9O3.C23H22F2N6O3S.C22H22F2N6O3S/c1-3-22-5-6-27(49-32(34)35)24(17-22)29-26(38-31(46)25-18-37-44-10-4-9-36-30(25)44)20-43(39-29)21-28(45)41-11-7-23(8-12-41)19-40-13-15-42(16-14-40)33(47)48-2;1-2-21-6-7-27(46-32(33)34)24(15-21)29-26(38-31(45)25-17-37-43-12-4-10-36-30(25)43)19-42(39-29)20-28(44)40-13-8-23(9-14-40)41-11-3-5-22(16-35)18-41;1-35-15-3-4-19(34-23(24)25)16(11-15)20-18(13-31(29-20)14-5-9-33-10-6-14)28-22(32)17-12-27-30-8-2-7-26-21(17)30;1-22(2,32)12-29-11-16(27-20(31)15-10-26-30-8-4-7-25-19(15)30)18(28-29)14-9-13(34-3)5-6-17(14)33-21(23)24/h4-6,9-10,17-18,20,23,32H,3,7-8,11-16,19,21H2,1-2H3,(H,38,46);4,6-7,10,12,15,17,19,22-23,32H,2-3,5,8-9,11,13-14,18,20H2,1H3,(H,38,45);2-4,7-8,11-14,23H,5-6,9-10H2,1H3,(H,28,32);4-11,21,32H,12H2,1-3H3,(H,27,31)/t;22-;;/m.0../s1.
What are the key properties of N-[1-[2-[4-[(3R)-3-cyanopiperidin-1-yl]piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-ethylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-ethylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate?
N-[1-[2-[4-[(3R)-3-cyanopiperidin-1-yl]piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-ethylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-ethylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate has a molecular weight of 2300.47 g/mol, XLogP of 16.33, 34 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-[(3R)-3-cyanopiperidin-1-yl]piperidin-1-yl]-2-oxoethyl]-3-[2-(difluoromethoxy)-5-ethylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-ethylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 165005389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).