bis(2-[(4-aminocyclohexyl)amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one);2-[[4-(aminomethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-cyclopentyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

C111H119Cl4N23O5 — CID 158369419

About bis(2-[(4-aminocyclohexyl)amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one);2-[[4-(aminomethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-cyclopentyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

bis(2-[(4-aminocyclohexyl)amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one);2-[[4-(aminomethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-cyclopentyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158369419) has the molecular formula C111H119Cl4N23O5 and a molecular weight of 1997.14 g/mol. Its IUPAC name is bis(2-[(4-aminocyclohexyl)amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one);2-[[4-(aminomethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-cyclopentyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: bis(2-[(4-aminocyclohexyl)amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one);2-[[4-(aminomethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-cyclopentyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158369419
• Molecular Formula: C111H119Cl4N23O5
• Molecular Weight: 1997.14 g/mol
• Exact Mass: 1993.85
• IUPAC Name: bis(2-[(4-aminocyclohexyl)amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one);2-[[4-(aminomethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-cyclopentyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NC3CCC(CN)CC3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NC3CCC(N)CC3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NC3CCC(N)CC3)nc21.Cc1cccnc1-c1ccc(-c2cc3cnc(NC4CCOCC4)nc3n(C3CCCC3)c2=O)c(Cl)c1
• InChI: InChI=1S/C29H30ClN5O2.C28H31ClN6O.2C27H29ClN6O/c1-18-5-4-12-31-26(18)19-8-9-23(25(30)16-19)24-15-20-17-32-29(33-21-10-13-37-14-11-21)34-27(20)35(28(24)36)22-6-2-3-7-22;1-3-35-26-20(16-31-28(34-26)33-21-10-7-18(15-30)8-11-21)13-23(27(35)36)22-12-9-19(14-24(22)29)25-6-4-5-17(2)32-25;2*1-3-34-25-18(15-30-27(33-25)32-20-10-8-19(29)9-11-20)13-22(26(34)35)21-12-7-17(14-23(21)28)24-6-4-5-16(2)31-24/h4-5,8-9,12,15-17,21-22H,2-3,6-7,10-11,13-14H2,1H3,(H,32,33,34);4-6,9,12-14,16,18,21H,3,7-8,10-11,15,30H2,1-2H3,(H,31,33,34);2*4-7,12-15,19-20H,3,8-11,29H2,1-2H3,(H,30,32,33)
• InChIKey: GUKWUVBZZVKFRG-UHFFFAOYSA-N
• XLogP: 21.99
• TPSA: 378.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1997.14
LogP ≤ 5	21.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of bis(2-[(4-aminocyclohexyl)amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one);2-[[4-(aminomethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-cyclopentyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of bis(2-[(4-aminocyclohexyl)amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one);2-[[4-(aminomethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-cyclopentyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 158369419) is bis(2-[(4-aminocyclohexyl)amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one);2-[[4-(aminomethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-cyclopentyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for bis(2-[(4-aminocyclohexyl)amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one);2-[[4-(aminomethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-cyclopentyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for bis(2-[(4-aminocyclohexyl)amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one);2-[[4-(aminomethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-cyclopentyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NC3CCC(CN)CC3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NC3CCC(N)CC3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NC3CCC(N)CC3)nc21.Cc1cccnc1-c1ccc(-c2cc3cnc(NC4CCOCC4)nc3n(C3CCCC3)c2=O)c(Cl)c1.

What is the InChIKey of bis(2-[(4-aminocyclohexyl)amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one);2-[[4-(aminomethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-cyclopentyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GUKWUVBZZVKFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN5O2.C28H31ClN6O.2C27H29ClN6O/c1-18-5-4-12-31-26(18)19-8-9-23(25(30)16-19)24-15-20-17-32-29(33-21-10-13-37-14-11-21)34-27(20)35(28(24)36)22-6-2-3-7-22;1-3-35-26-20(16-31-28(34-26)33-21-10-7-18(15-30)8-11-21)13-23(27(35)36)22-12-9-19(14-24(22)29)25-6-4-5-17(2)32-25;2*1-3-34-25-18(15-30-27(33-25)32-20-10-8-19(29)9-11-20)13-22(26(34)35)21-12-7-17(14-23(21)28)24-6-4-5-16(2)31-24/h4-5,8-9,12,15-17,21-22H,2-3,6-7,10-11,13-14H2,1H3,(H,32,33,34);4-6,9,12-14,16,18,21H,3,7-8,10-11,15,30H2,1-2H3,(H,31,33,34);2*4-7,12-15,19-20H,3,8-11,29H2,1-2H3,(H,30,32,33).

What are the key properties of bis(2-[(4-aminocyclohexyl)amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one);2-[[4-(aminomethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-cyclopentyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?

bis(2-[(4-aminocyclohexyl)amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one);2-[[4-(aminomethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-cyclopentyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 1997.14 g/mol, XLogP of 21.99, 21 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[(4-aminocyclohexyl)amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one);2-[[4-(aminomethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-cyclopentyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158369419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).