N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide)

C63H55BrCl3N21O9 — CID 158547949

About N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide)

N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide) (PubChem CID 158547949) has the molecular formula C63H55BrCl3N21O9 and a molecular weight of 1436.53 g/mol. Its IUPAC name is N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide).

Molecular Properties

• Compound Name: N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide)
• PubChem CID: 158547949
• Molecular Formula: C63H55BrCl3N21O9
• Molecular Weight: 1436.53 g/mol
• Exact Mass: 1433.27
• IUPAC Name: N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide)
• SMILES: CC1(c2ccccn2)NC(=O)c2c(Cl)cc(Br)c(=O)n21.CC1(c2ccccn2)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21.CC1(c2ccccn2)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21.Nc1cc(NC(=O)C2CC2)ncn1
• InChI: InChI=1S/2C21H18ClN7O3.C13H9BrClN3O2.C8H10N4O/c2*1-21(14-4-2-3-7-23-14)28-19(31)17-12(22)8-13(20(32)29(17)21)26-15-9-16(25-10-24-15)27-18(30)11-5-6-11;1-13(9-4-2-3-5-16-9)17-11(19)10-8(15)6-7(14)12(20)18(10)13;9-6-3-7(11-4-10-6)12-8(13)5-1-2-5/h2*2-4,7-11H,5-6H2,1H3,(H,28,31)(H2,24,25,26,27,30);2-6H,1H3,(H,17,19);3-5H,1-2H2,(H3,9,10,11,12,13)
• InChIKey: HPIZBDKAGFNKOF-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 406.69 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1436.53
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide)?

The IUPAC name of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide) (CID 158547949) is N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide).

What is the SMILES notation for N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide)?

The canonical SMILES for N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide) is CC1(c2ccccn2)NC(=O)c2c(Cl)cc(Br)c(=O)n21.CC1(c2ccccn2)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21.CC1(c2ccccn2)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21.Nc1cc(NC(=O)C2CC2)ncn1.

What is the InChIKey of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide)?

The InChIKey is HPIZBDKAGFNKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H18ClN7O3.C13H9BrClN3O2.C8H10N4O/c2*1-21(14-4-2-3-7-23-14)28-19(31)17-12(22)8-13(20(32)29(17)21)26-15-9-16(25-10-24-15)27-18(30)11-5-6-11;1-13(9-4-2-3-5-16-9)17-11(19)10-8(15)6-7(14)12(20)18(10)13;9-6-3-7(11-4-10-6)12-8(13)5-1-2-5/h2*2-4,7-11H,5-6H2,1H3,(H,28,31)(H2,24,25,26,27,30);2-6H,1H3,(H,17,19);3-5H,1-2H2,(H3,9,10,11,12,13).

What are the key properties of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide)?

N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide) has a molecular weight of 1436.53 g/mol, XLogP of 7.02, 13 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide) is sourced from PubChem (CID 158547949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).