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

C76H90Cl2N20O12 — CID 159075740

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

N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-chloro-3-cyclopentyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-cyclopentylethanone;bis(N-[6-[(3-cyclopentyl-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide) (PubChem CID 159075740) has the molecular formula C76H90Cl2N20O12 and a molecular weight of 1546.59 g/mol. Its IUPAC name is N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-chloro-3-cyclopentyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-cyclopentylethanone;bis(N-[6-[(3-cyclopentyl-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide).

Molecular Properties

• Compound Name: N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-chloro-3-cyclopentyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-cyclopentylethanone;bis(N-[6-[(3-cyclopentyl-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide)
• PubChem CID: 159075740
• Molecular Formula: C76H90Cl2N20O12
• Molecular Weight: 1546.59 g/mol
• Exact Mass: 1544.64
• IUPAC Name: N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-chloro-3-cyclopentyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-cyclopentylethanone;bis(N-[6-[(3-cyclopentyl-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide)
• SMILES: CC(=O)C1CCCC1.CC1(C2CCCC2)NC(=O)c2ccc(Cl)c(=O)n21.CC1(C2CCCC2)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21.CC1(C2CCCC2)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21.NC(=O)c1ccc(Cl)c(=O)[nH]1.Nc1cc(NC(=O)C2CC2)ncn1
• InChI: InChI=1S/2C21H24N6O3.C13H15ClN2O2.C8H10N4O.C7H12O.C6H5ClN2O2/c2*1-21(13-4-2-3-5-13)26-19(29)15-9-8-14(20(30)27(15)21)24-16-10-17(23-11-22-16)25-18(28)12-6-7-12;1-13(8-4-2-3-5-8)15-11(17)10-7-6-9(14)12(18)16(10)13;9-6-3-7(11-4-10-6)12-8(13)5-1-2-5;1-6(8)7-4-2-3-5-7;7-3-1-2-4(5(8)10)9-6(3)11/h2*8-13H,2-7H2,1H3,(H,26,29)(H2,22,23,24,25,28);6-8H,2-5H2,1H3,(H,15,17);3-5H,1-2H2,(H3,9,10,11,12,13);7H,2-5H2,1H3;1-2H,(H2,8,10)(H,9,11)
• InChIKey: KAFKZMXCYOXPLV-UHFFFAOYSA-N
• XLogP: 9.08
• TPSA: 461.04 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1546.59
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-chloro-3-cyclopentyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-cyclopentylethanone;bis(N-[6-[(3-cyclopentyl-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide) (CID 159075740) is N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-chloro-3-cyclopentyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-cyclopentylethanone;bis(N-[6-[(3-cyclopentyl-3-methyl-1,5-dioxo-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-chloro-3-cyclopentyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-cyclopentylethanone;bis(N-[6-[(3-cyclopentyl-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide)?

The canonical SMILES for N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-chloro-3-cyclopentyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-cyclopentylethanone;bis(N-[6-[(3-cyclopentyl-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide) is CC(=O)C1CCCC1.CC1(C2CCCC2)NC(=O)c2ccc(Cl)c(=O)n21.CC1(C2CCCC2)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21.CC1(C2CCCC2)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21.NC(=O)c1ccc(Cl)c(=O)[nH]1.Nc1cc(NC(=O)C2CC2)ncn1.

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

The InChIKey is KAFKZMXCYOXPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H24N6O3.C13H15ClN2O2.C8H10N4O.C7H12O.C6H5ClN2O2/c2*1-21(13-4-2-3-5-13)26-19(29)15-9-8-14(20(30)27(15)21)24-16-10-17(23-11-22-16)25-18(28)12-6-7-12;1-13(8-4-2-3-5-8)15-11(17)10-7-6-9(14)12(18)16(10)13;9-6-3-7(11-4-10-6)12-8(13)5-1-2-5;1-6(8)7-4-2-3-5-7;7-3-1-2-4(5(8)10)9-6(3)11/h2*8-13H,2-7H2,1H3,(H,26,29)(H2,22,23,24,25,28);6-8H,2-5H2,1H3,(H,15,17);3-5H,1-2H2,(H3,9,10,11,12,13);7H,2-5H2,1H3;1-2H,(H2,8,10)(H,9,11).

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

N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-chloro-3-cyclopentyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-cyclopentylethanone;bis(N-[6-[(3-cyclopentyl-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide) has a molecular weight of 1546.59 g/mol, XLogP of 9.08, 15 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-chloro-3-cyclopentyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-cyclopentylethanone;bis(N-[6-[(3-cyclopentyl-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide) is sourced from PubChem (CID 159075740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).