1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-(imidazo[1,5-a]pyridin-6-ylamino)pyrido[2,3-d]pyrimidin-7-yl]urea

C25H22Cl2N8O — CID 15604665

About 1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-(imidazo[1,5-a]pyridin-6-ylamino)pyrido[2,3-d]pyrimidin-7-yl]urea

1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-(imidazo[1,5-a]pyridin-6-ylamino)pyrido[2,3-d]pyrimidin-7-yl]urea (PubChem CID 15604665) has the molecular formula C25H22Cl2N8O and a molecular weight of 521.41 g/mol. Its IUPAC name is 1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-(imidazo[1,5-a]pyridin-6-ylamino)pyrido[2,3-d]pyrimidin-7-yl]urea.

Molecular Properties

• Compound Name: 1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-(imidazo[1,5-a]pyridin-6-ylamino)pyrido[2,3-d]pyrimidin-7-yl]urea
• PubChem CID: 15604665
• Molecular Formula: C25H22Cl2N8O
• Molecular Weight: 521.41 g/mol
• Exact Mass: 520.13
• IUPAC Name: 1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-(imidazo[1,5-a]pyridin-6-ylamino)pyrido[2,3-d]pyrimidin-7-yl]urea
• SMILES: CC(C)(C)NC(=O)Nc1nc2nc(Nc3ccc4cncn4c3)ncc2cc1-c1c(Cl)cccc1Cl
• InChI: InChI=1S/C25H22Cl2N8O/c1-25(2,3)34-24(36)33-22-17(20-18(26)5-4-6-19(20)27)9-14-10-29-23(32-21(14)31-22)30-15-7-8-16-11-28-13-35(16)12-15/h4-13H,1-3H3,(H3,29,30,31,32,33,34,36)
• InChIKey: BZGARZHJNAMAIO-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 109.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.41
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-(imidazo[1,5-a]pyridin-6-ylamino)pyrido[2,3-d]pyrimidin-7-yl]urea?

The IUPAC name of 1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-(imidazo[1,5-a]pyridin-6-ylamino)pyrido[2,3-d]pyrimidin-7-yl]urea (CID 15604665) is 1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-(imidazo[1,5-a]pyridin-6-ylamino)pyrido[2,3-d]pyrimidin-7-yl]urea.

What is the SMILES notation for 1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-(imidazo[1,5-a]pyridin-6-ylamino)pyrido[2,3-d]pyrimidin-7-yl]urea?

The canonical SMILES for 1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-(imidazo[1,5-a]pyridin-6-ylamino)pyrido[2,3-d]pyrimidin-7-yl]urea is CC(C)(C)NC(=O)Nc1nc2nc(Nc3ccc4cncn4c3)ncc2cc1-c1c(Cl)cccc1Cl.

What is the InChIKey of 1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-(imidazo[1,5-a]pyridin-6-ylamino)pyrido[2,3-d]pyrimidin-7-yl]urea?

The InChIKey is BZGARZHJNAMAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N8O/c1-25(2,3)34-24(36)33-22-17(20-18(26)5-4-6-19(20)27)9-14-10-29-23(32-21(14)31-22)30-15-7-8-16-11-28-13-35(16)12-15/h4-13H,1-3H3,(H3,29,30,31,32,33,34,36).

What are the key properties of 1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-(imidazo[1,5-a]pyridin-6-ylamino)pyrido[2,3-d]pyrimidin-7-yl]urea?

1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-(imidazo[1,5-a]pyridin-6-ylamino)pyrido[2,3-d]pyrimidin-7-yl]urea has a molecular weight of 521.41 g/mol, XLogP of 6.31, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-(imidazo[1,5-a]pyridin-6-ylamino)pyrido[2,3-d]pyrimidin-7-yl]urea is sourced from PubChem (CID 15604665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).