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

C42H37BrCl2N14O6 — CID 161122031

About N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-4-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-4-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 161122031) has the molecular formula C42H37BrCl2N14O6 and a molecular weight of 984.66 g/mol. Its IUPAC name is N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-4-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-4-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
• PubChem CID: 161122031
• Molecular Formula: C42H37BrCl2N14O6
• Molecular Weight: 984.66 g/mol
• Exact Mass: 982.16
• IUPAC Name: N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
• SMILES: CC1(c2ccncc2)NC(=O)c2c(Cl)cc(Br)c(=O)n21.CC1(c2ccncc2)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21.Nc1cc(NC(=O)C2CC2)ncn1
• InChI: InChI=1S/C21H18ClN7O3.C13H9BrClN3O2.C8H10N4O/c1-21(12-4-6-23-7-5-12)28-19(31)17-13(22)8-14(20(32)29(17)21)26-15-9-16(25-10-24-15)27-18(30)11-2-3-11;1-13(7-2-4-16-5-3-7)17-11(19)10-9(15)6-8(14)12(20)18(10)13;9-6-3-7(11-4-10-6)12-8(13)5-1-2-5/h4-11H,2-3H2,1H3,(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: ULBPCJWNKUFUAG-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 275.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	984.66
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-4-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-4-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (CID 161122031) is N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-4-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-4-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-4-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-4-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide is CC1(c2ccncc2)NC(=O)c2c(Cl)cc(Br)c(=O)n21.CC1(c2ccncc2)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-4-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?

The InChIKey is ULBPCJWNKUFUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN7O3.C13H9BrClN3O2.C8H10N4O/c1-21(12-4-6-23-7-5-12)28-19(31)17-13(22)8-14(20(32)29(17)21)26-15-9-16(25-10-24-15)27-18(30)11-2-3-11;1-13(7-2-4-16-5-3-7)17-11(19)10-9(15)6-8(14)12(20)18(10)13;9-6-3-7(11-4-10-6)12-8(13)5-1-2-5/h4-11H,2-3H2,1H3,(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-4-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-4-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-4-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 984.66 g/mol, XLogP of 4.77, 8 rotatable bonds, 6 hydrogen bond donors, and 16 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-4-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 161122031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).