N-cyclopentyl-4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-cyclopropyl-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide

C106H140N24O14 — CID 161089747

IUPACN-cyclopentyl-4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-cyclopropyl-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide
SMILESCOc1cc(C(=O)NC2CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C[C@H](C)C(=O)N2C.COc1cc(C(=O)NC2CCCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C[C@H](C)C(=O)N2C.COc1cc(C(=O)NC2CCOCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C[C@H](C)C(=O)N2C.COc1cc(C(=O)N[C@H]2CCOC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)(C)C(=O)N2C
InChIInChI=1S/2C27H36N6O4.C27H36N6O3.C25H32N6O3/c1-27(2)16-33(19-7-5-6-8-19)23-21(32(3)25(27)35)14-28-26(31-23)30-20-10-9-17(13-22(20)36-4)24(34)29-18-11-12-37-15-18;1-17-16-33(20-6-4-5-7-20)24-22(32(2)26(17)35)15-28-27(31-24)30-21-9-8-18(14-23(21)36-3)25(34)29-19-10-12-37-13-11-19;1-17-16-33(20-10-6-7-11-20)24-22(32(2)26(17)35)15-28-27(31-24)30-21-13-12-18(14-23(21)36-3)25(34)29-19-8-4-5-9-19;1-15-14-31(18-6-4-5-7-18)22-20(30(2)24(15)33)13-26-25(29-22)28-19-11-8-16(12-21(19)34-3)23(32)27-17-9-10-17/h9-10,13-14,18-19H,5-8,11-12,15-16H2,1-4H3,(H,29,34)(H,28,30,31);8-9,14-15,17,19-20H,4-7,10-13,16H2,1-3H3,(H,29,34)(H,28,30,31);12-15,17,19-20H,4-11,16H2,1-3H3,(H,29,34)(H,28,30,31);8,11-13,15,17-18H,4-7,9-10,14H2,1-3H3,(H,27,32)(H,26,28,29)/t18-;2*17-;15-/m0000/s1
InChIKeyUHAABSIMIFSNPG-YADJCWFISA-N
MW1974.44 g/mol
LogP14.74
Rot. Bonds24

About N-cyclopentyl-4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-cyclopropyl-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide

N-cyclopentyl-4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-cyclopropyl-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide (PubChem CID 161089747) has the molecular formula C106H140N24O14 and a molecular weight of 1974.44 g/mol. Its IUPAC name is N-cyclopentyl-4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-cyclopropyl-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-cyclopropyl-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide
PubChem CID161089747
Molecular FormulaC106H140N24O14
Molecular Weight1974.44 g/mol
Exact Mass1973.10
IUPAC NameN-cyclopentyl-4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-cyclopropyl-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide
SMILESCOc1cc(C(=O)NC2CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C[C@H](C)C(=O)N2C.COc1cc(C(=O)NC2CCCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C[C@H](C)C(=O)N2C.COc1cc(C(=O)NC2CCOCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C[C@H](C)C(=O)N2C.COc1cc(C(=O)N[C@H]2CCOC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)(C)C(=O)N2C
InChIInChI=1S/2C27H36N6O4.C27H36N6O3.C25H32N6O3/c1-27(2)16-33(19-7-5-6-8-19)23-21(32(3)25(27)35)14-28-26(31-23)30-20-10-9-17(13-22(20)36-4)24(34)29-18-11-12-37-15-18;1-17-16-33(20-6-4-5-7-20)24-22(32(2)26(17)35)15-28-27(31-24)30-21-9-8-18(14-23(21)36-3)25(34)29-19-10-12-37-13-11-19;1-17-16-33(20-10-6-7-11-20)24-22(32(2)26(17)35)15-28-27(31-24)30-21-13-12-18(14-23(21)36-3)25(34)29-19-8-4-5-9-19;1-15-14-31(18-6-4-5-7-18)22-20(30(2)24(15)33)13-26-25(29-22)28-19-11-8-16(12-21(19)34-3)23(32)27-17-9-10-17/h9-10,13-14,18-19H,5-8,11-12,15-16H2,1-4H3,(H,29,34)(H,28,30,31);8-9,14-15,17,19-20H,4-7,10-13,16H2,1-3H3,(H,29,34)(H,28,30,31);12-15,17,19-20H,4-11,16H2,1-3H3,(H,29,34)(H,28,30,31);8,11-13,15,17-18H,4-7,9-10,14H2,1-3H3,(H,27,32)(H,26,28,29)/t18-;2*17-;15-/m0000/s1
InChIKeyUHAABSIMIFSNPG-YADJCWFISA-N
XLogP14.74
TPSA417.22 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001974.44
LogP ≤ 514.74
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze N-cyclopentyl-4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-cyclopropyl-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 25015396
4-[(9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 24936043
4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide;4-[[9-(3,3-difluorocyclobutyl)-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[9-(3,3-difluorocyclobutyl)-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[[9-[(2-fluoro-2-methylcyclopropyl)methyl]-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 160875571
3-methoxy-N-methyl-4-[[5,7,7-trimethyl-9-(oxan-4-yl)-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]benzamide
CID 25126350
4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(3-hydroxycyclopentyl)-3-methoxybenzamide
CID 76653312
4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4H-pyridin-4-yl)benzamide
CID 25124328
4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-cyclopropylpiperidin-4-yl)-3-methoxybenzamide
CID 44548616
4-[(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 25253837
4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 67392142
4-[(9-cyclopentyl-7-ethyl-7-fluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylazetidin-3-yl)benzamide
CID 25252912
4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 118873106
4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide
CID 118873107

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-cyclopropyl-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide?
The IUPAC name of N-cyclopentyl-4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-cyclopropyl-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide (CID 161089747) is N-cyclopentyl-4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-cyclopropyl-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-cyclopropyl-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-cyclopropyl-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide is COc1cc(C(=O)NC2CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C[C@H](C)C(=O)N2C.COc1cc(C(=O)NC2CCCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C[C@H](C)C(=O)N2C.COc1cc(C(=O)NC2CCOCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C[C@H](C)C(=O)N2C.COc1cc(C(=O)N[C@H]2CCOC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)(C)C(=O)N2C.
What is the InChIKey of N-cyclopentyl-4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-cyclopropyl-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide?
The InChIKey is UHAABSIMIFSNPG-YADJCWFISA-N. The full InChI is InChI=1S/2C27H36N6O4.C27H36N6O3.C25H32N6O3/c1-27(2)16-33(19-7-5-6-8-19)23-21(32(3)25(27)35)14-28-26(31-23)30-20-10-9-17(13-22(20)36-4)24(34)29-18-11-12-37-15-18;1-17-16-33(20-6-4-5-7-20)24-22(32(2)26(17)35)15-28-27(31-24)30-21-9-8-18(14-23(21)36-3)25(34)29-19-10-12-37-13-11-19;1-17-16-33(20-10-6-7-11-20)24-22(32(2)26(17)35)15-28-27(31-24)30-21-13-12-18(14-23(21)36-3)25(34)29-19-8-4-5-9-19;1-15-14-31(18-6-4-5-7-18)22-20(30(2)24(15)33)13-26-25(29-22)28-19-11-8-16(12-21(19)34-3)23(32)27-17-9-10-17/h9-10,13-14,18-19H,5-8,11-12,15-16H2,1-4H3,(H,29,34)(H,28,30,31);8-9,14-15,17,19-20H,4-7,10-13,16H2,1-3H3,(H,29,34)(H,28,30,31);12-15,17,19-20H,4-11,16H2,1-3H3,(H,29,34)(H,28,30,31);8,11-13,15,17-18H,4-7,9-10,14H2,1-3H3,(H,27,32)(H,26,28,29)/t18-;2*17-;15-/m0000/s1.
What are the key properties of N-cyclopentyl-4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-cyclopropyl-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide?
N-cyclopentyl-4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-cyclopropyl-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide has a molecular weight of 1974.44 g/mol, XLogP of 14.74, 24 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-cyclopropyl-3-methoxybenzamide;4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(oxan-4-yl)benzamide;4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[(3S)-oxolan-3-yl]benzamide is sourced from PubChem (CID 161089747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).