4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide

C29H41N7O4 — CID 11157114

IUPAC4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide
SMILESCOc1cc(C(=O)NC2CCC(N3CCOCC3)CC2)ccc1Nc1ncc2c(n1)N(C(C)C)[C@H](C)C(=O)N2C
InChIInChI=1S/C29H41N7O4/c1-18(2)36-19(3)28(38)34(4)24-17-30-29(33-26(24)36)32-23-11-6-20(16-25(23)39-5)27(37)31-21-7-9-22(10-8-21)35-12-14-40-15-13-35/h6,11,16-19,21-22H,7-10,12-15H2,1-5H3,(H,31,37)(H,30,32,33)/t19-,21?,22?/m1/s1
InChIKeyGBBGJSLWWPSMJB-JSRJAPPDSA-N
MW551.69 g/mol
LogP3.18
Rot. Bonds7

About 4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide

4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide (PubChem CID 11157114) has the molecular formula C29H41N7O4 and a molecular weight of 551.69 g/mol. Its IUPAC name is 4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide
PubChem CID11157114
Molecular FormulaC29H41N7O4
Molecular Weight551.69 g/mol
Exact Mass551.32
IUPAC Name4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide
SMILESCOc1cc(C(=O)NC2CCC(N3CCOCC3)CC2)ccc1Nc1ncc2c(n1)N(C(C)C)[C@H](C)C(=O)N2C
InChIInChI=1S/C29H41N7O4/c1-18(2)36-19(3)28(38)34(4)24-17-30-29(33-26(24)36)32-23-11-6-20(16-25(23)39-5)27(37)31-21-7-9-22(10-8-21)35-12-14-40-15-13-35/h6,11,16-19,21-22H,7-10,12-15H2,1-5H3,(H,31,37)(H,30,32,33)/t19-,21?,22?/m1/s1
InChIKeyGBBGJSLWWPSMJB-JSRJAPPDSA-N
XLogP3.18
TPSA112.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.69
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide 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

4-[[(7R)-5,7-dimethyl-8-(3-methylbutyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide
CID 11238573
4-[[5,7-dimethyl-8-(3-methylbutyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 11376098
4-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 76902209
4-[(9-butan-2-yl-5,7,8-trimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 163818079
4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-methoxybenzamide
CID 11549087
3-methoxy-4-[[5-methyl-9-(oxan-4-yl)-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 42610785
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
3-methoxy-N-(1-methylpiperidin-4-yl)-4-[[5,7,7-trimethyl-8-(3-methylbutyl)-6-oxopteridin-2-yl]amino]benzamide
CID 11489338
4-[(8-cyclohexyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzoic acid
CID 20761845
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
N-cyclohexyl-4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzamide
CID 25004621

Frequently Asked Questions

What is the IUPAC name of 4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide?
The IUPAC name of 4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide (CID 11157114) is 4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide.
What is the SMILES notation for 4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide?
The canonical SMILES for 4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide is COc1cc(C(=O)NC2CCC(N3CCOCC3)CC2)ccc1Nc1ncc2c(n1)N(C(C)C)[C@H](C)C(=O)N2C.
What is the InChIKey of 4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide?
The InChIKey is GBBGJSLWWPSMJB-JSRJAPPDSA-N. The full InChI is InChI=1S/C29H41N7O4/c1-18(2)36-19(3)28(38)34(4)24-17-30-29(33-26(24)36)32-23-11-6-20(16-25(23)39-5)27(37)31-21-7-9-22(10-8-21)35-12-14-40-15-13-35/h6,11,16-19,21-22H,7-10,12-15H2,1-5H3,(H,31,37)(H,30,32,33)/t19-,21?,22?/m1/s1.
What are the key properties of 4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide?
4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide has a molecular weight of 551.69 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide is sourced from PubChem (CID 11157114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).