4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[7-[bis[(4-methoxyphenyl)methyl]amino]-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide

C56H46Cl2F2N14O4 — CID 157454131

About 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[7-[bis[(4-methoxyphenyl)methyl]amino]-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide

4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[7-[bis[(4-methoxyphenyl)methyl]amino]-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 157454131) has the molecular formula C56H46Cl2F2N14O4 and a molecular weight of 1087.98 g/mol. Its IUPAC name is 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[7-[bis[(4-methoxyphenyl)methyl]amino]-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[7-[bis[(4-methoxyphenyl)methyl]amino]-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
• PubChem CID: 157454131
• Molecular Formula: C56H46Cl2F2N14O4
• Molecular Weight: 1087.98 g/mol
• Exact Mass: 1086.32
• IUPAC Name: 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[7-[bis[(4-methoxyphenyl)methyl]amino]-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
• SMILES: CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nc(N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)ccc12.CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nc(N)ccc12
• InChI: InChI=1S/C36H31ClFN7O3.C20H15ClFN7O/c1-39-36(46)29-19-40-17-16-31(29)41-33-27-13-15-32(42-34(27)44-35(43-33)28-18-24(37)8-14-30(28)38)45(20-22-4-9-25(47-2)10-5-22)21-23-6-11-26(48-3)12-7-23;1-24-20(30)13-9-25-7-6-15(13)26-17-11-3-5-16(23)27-18(11)29-19(28-17)12-8-10(21)2-4-14(12)22/h4-19H,20-21H2,1-3H3,(H,39,46)(H,40,41,42,43,44);2-9H,1H3,(H,24,30)(H3,23,25,26,27,28,29)
• InChIKey: BTDODLVPADNNNZ-UHFFFAOYSA-N
• XLogP: 10.77
• TPSA: 233.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1087.98
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[7-[bis[(4-methoxyphenyl)methyl]amino]-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?

The IUPAC name of 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[7-[bis[(4-methoxyphenyl)methyl]amino]-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide (CID 157454131) is 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[7-[bis[(4-methoxyphenyl)methyl]amino]-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide.

What is the SMILES notation for 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[7-[bis[(4-methoxyphenyl)methyl]amino]-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?

The canonical SMILES for 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[7-[bis[(4-methoxyphenyl)methyl]amino]-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nc(N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)ccc12.CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nc(N)ccc12.

What is the InChIKey of 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[7-[bis[(4-methoxyphenyl)methyl]amino]-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?

The InChIKey is BTDODLVPADNNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31ClFN7O3.C20H15ClFN7O/c1-39-36(46)29-19-40-17-16-31(29)41-33-27-13-15-32(42-34(27)44-35(43-33)28-18-24(37)8-14-30(28)38)45(20-22-4-9-25(47-2)10-5-22)21-23-6-11-26(48-3)12-7-23;1-24-20(30)13-9-25-7-6-15(13)26-17-11-3-5-16(23)27-18(11)29-19(28-17)12-8-10(21)2-4-14(12)22/h4-19H,20-21H2,1-3H3,(H,39,46)(H,40,41,42,43,44);2-9H,1H3,(H,24,30)(H3,23,25,26,27,28,29).

What are the key properties of 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[7-[bis[(4-methoxyphenyl)methyl]amino]-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?

4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[7-[bis[(4-methoxyphenyl)methyl]amino]-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 1087.98 g/mol, XLogP of 10.77, 15 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[7-[bis[(4-methoxyphenyl)methyl]amino]-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 157454131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).