N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[(2R)-2-hydroxypropyl]-3-methoxybenzamide

C121H122N26O15 — CID 158293202

IUPACN-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[(2R)-2-hydroxypropyl]-3-methoxybenzamide
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1.COc1cc(-n2cccn2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1.COc1cc(C(=O)NC2CCCC2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1.COc1cc(C(=O)NC[C@@H](C)O)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1
InChIInChI=1S/C32H34N6O4.C30H29N7O3.C30H32N6O5.C29H27N7O3/c1-18-34-25-13-11-19(15-27(25)41-18)23-17-33-29-28(23)31(42-22-9-5-6-10-22)38-32(37-29)36-24-14-12-20(16-26(24)40-2)30(39)35-21-7-3-4-8-21;1-17-33-24-11-9-19(13-26(24)39-17)22-15-31-28-27(22)29(40-21-6-4-5-7-21)36-30(35-28)34-23-10-8-18(12-25(23)38-3)20-14-32-37(2)16-20;1-16(37)14-32-28(38)19-9-11-22(24(13-19)39-3)34-30-35-27-26(29(36-30)41-20-6-4-5-7-20)21(15-31-27)18-8-10-23-25(12-18)40-17(2)33-23;1-17-32-23-10-8-18(14-25(23)38-17)21-16-30-27-26(21)28(39-20-6-3-4-7-20)35-29(34-27)33-22-11-9-19(15-24(22)37-2)36-13-5-12-31-36/h11-17,21-22H,3-10H2,1-2H3,(H,35,39)(H2,33,36,37,38);8-16,21H,4-7H2,1-3H3,(H2,31,34,35,36);8-13,15-16,20,37H,4-7,14H2,1-3H3,(H,32,38)(H2,31,34,35,36);5,8-16,20H,3-4,6-7H2,1-2H3,(H2,30,33,34,35)/t;;16-;/m..1./s1
InChIKeyGLPGACWWQCYUPN-FJPCFGBSSA-N
MW2180.47 g/mol
LogP24.96
Rot. Bonds31

About N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[(2R)-2-hydroxypropyl]-3-methoxybenzamide

N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[(2R)-2-hydroxypropyl]-3-methoxybenzamide (PubChem CID 158293202) has the molecular formula C121H122N26O15 and a molecular weight of 2180.47 g/mol. Its IUPAC name is N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[(2R)-2-hydroxypropyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[(2R)-2-hydroxypropyl]-3-methoxybenzamide
PubChem CID158293202
Molecular FormulaC121H122N26O15
Molecular Weight2180.47 g/mol
Exact Mass2178.96
IUPAC NameN-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[(2R)-2-hydroxypropyl]-3-methoxybenzamide
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1.COc1cc(-n2cccn2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1.COc1cc(C(=O)NC2CCCC2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1.COc1cc(C(=O)NC[C@@H](C)O)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1
InChIInChI=1S/C32H34N6O4.C30H29N7O3.C30H32N6O5.C29H27N7O3/c1-18-34-25-13-11-19(15-27(25)41-18)23-17-33-29-28(23)31(42-22-9-5-6-10-22)38-32(37-29)36-24-14-12-20(16-26(24)40-2)30(39)35-21-7-3-4-8-21;1-17-33-24-11-9-19(13-26(24)39-17)22-15-31-28-27(22)29(40-21-6-4-5-7-21)36-30(35-28)34-23-10-8-18(12-25(23)38-3)20-14-32-37(2)16-20;1-16(37)14-32-28(38)19-9-11-22(24(13-19)39-3)34-30-35-27-26(29(36-30)41-20-6-4-5-7-20)21(15-31-27)18-8-10-23-25(12-18)40-17(2)33-23;1-17-32-23-10-8-18(14-25(23)38-17)21-16-30-27-26(21)28(39-20-6-3-4-7-20)35-29(34-27)33-22-11-9-19(15-24(22)37-2)36-13-5-12-31-36/h11-17,21-22H,3-10H2,1-2H3,(H,35,39)(H2,33,36,37,38);8-16,21H,4-7H2,1-3H3,(H2,31,34,35,36);8-13,15-16,20,37H,4-7,14H2,1-3H3,(H,32,38)(H2,31,34,35,36);5,8-16,20H,3-4,6-7H2,1-2H3,(H2,30,33,34,35)/t;;16-;/m..1./s1
InChIKeyGLPGACWWQCYUPN-FJPCFGBSSA-N
XLogP24.96
TPSA506.43 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds31
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002180.47
LogP ≤ 524.96
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Analyze N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[(2R)-2-hydroxypropyl]-3-methoxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[(2R)-2-hydroxypropyl]-3-methoxybenzamide?
The IUPAC name of N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[(2R)-2-hydroxypropyl]-3-methoxybenzamide (CID 158293202) is N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[(2R)-2-hydroxypropyl]-3-methoxybenzamide.
What is the SMILES notation for N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[(2R)-2-hydroxypropyl]-3-methoxybenzamide?
The canonical SMILES for N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[(2R)-2-hydroxypropyl]-3-methoxybenzamide is COc1cc(-c2cnn(C)c2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1.COc1cc(-n2cccn2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1.COc1cc(C(=O)NC2CCCC2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1.COc1cc(C(=O)NC[C@@H](C)O)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1.
What is the InChIKey of N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[(2R)-2-hydroxypropyl]-3-methoxybenzamide?
The InChIKey is GLPGACWWQCYUPN-FJPCFGBSSA-N. The full InChI is InChI=1S/C32H34N6O4.C30H29N7O3.C30H32N6O5.C29H27N7O3/c1-18-34-25-13-11-19(15-27(25)41-18)23-17-33-29-28(23)31(42-22-9-5-6-10-22)38-32(37-29)36-24-14-12-20(16-26(24)40-2)30(39)35-21-7-3-4-8-21;1-17-33-24-11-9-19(13-26(24)39-17)22-15-31-28-27(22)29(40-21-6-4-5-7-21)36-30(35-28)34-23-10-8-18(12-25(23)38-3)20-14-32-37(2)16-20;1-16(37)14-32-28(38)19-9-11-22(24(13-19)39-3)34-30-35-27-26(29(36-30)41-20-6-4-5-7-20)21(15-31-27)18-8-10-23-25(12-18)40-17(2)33-23;1-17-32-23-10-8-18(14-25(23)38-17)21-16-30-27-26(21)28(39-20-6-3-4-7-20)35-29(34-27)33-22-11-9-19(15-24(22)37-2)36-13-5-12-31-36/h11-17,21-22H,3-10H2,1-2H3,(H,35,39)(H2,33,36,37,38);8-16,21H,4-7H2,1-3H3,(H2,31,34,35,36);8-13,15-16,20,37H,4-7,14H2,1-3H3,(H,32,38)(H2,31,34,35,36);5,8-16,20H,3-4,6-7H2,1-2H3,(H2,30,33,34,35)/t;;16-;/m..1./s1.
What are the key properties of N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[(2R)-2-hydroxypropyl]-3-methoxybenzamide?
N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[(2R)-2-hydroxypropyl]-3-methoxybenzamide has a molecular weight of 2180.47 g/mol, XLogP of 24.96, 31 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[(2R)-2-hydroxypropyl]-3-methoxybenzamide is sourced from PubChem (CID 158293202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).