N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-amine

C34H38N8 — CID 170694085

About N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-amine

N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-amine (PubChem CID 170694085) has the molecular formula C34H38N8 and a molecular weight of 558.73 g/mol. Its IUPAC name is N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-amine.

Molecular Properties

• Compound Name: N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-amine
• PubChem CID: 170694085
• Molecular Formula: C34H38N8
• Molecular Weight: 558.73 g/mol
• Exact Mass: 558.32
• IUPAC Name: N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-amine
• SMILES: CCN1CCN(c2cc(C3CC3)cn3cc(CNc4ccc5ccc([C@H]6C[C@@H]6c6nccc(C)n6)nc5c4)nc23)CC1
• InChI: InChI=1S/C34H38N8/c1-3-40-12-14-41(15-13-40)32-16-25(23-4-5-23)20-42-21-27(38-34(32)42)19-36-26-8-6-24-7-9-30(39-31(24)17-26)28-18-29(28)33-35-11-10-22(2)37-33/h6-11,16-17,20-21,23,28-29,36H,3-5,12-15,18-19H2,1-2H3/t28-,29-/m0/s1
• InChIKey: UTJSKEWRMWRLNL-VMPREFPWSA-N
• XLogP: 5.88
• TPSA: 74.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.73
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-amine?

The IUPAC name of N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-amine (CID 170694085) is N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-amine.

What is the SMILES notation for N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-amine?

The canonical SMILES for N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-amine is CCN1CCN(c2cc(C3CC3)cn3cc(CNc4ccc5ccc([C@H]6C[C@@H]6c6nccc(C)n6)nc5c4)nc23)CC1.

What is the InChIKey of N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-amine?

The InChIKey is UTJSKEWRMWRLNL-VMPREFPWSA-N. The full InChI is InChI=1S/C34H38N8/c1-3-40-12-14-41(15-13-40)32-16-25(23-4-5-23)20-42-21-27(38-34(32)42)19-36-26-8-6-24-7-9-30(39-31(24)17-26)28-18-29(28)33-35-11-10-22(2)37-33/h6-11,16-17,20-21,23,28-29,36H,3-5,12-15,18-19H2,1-2H3/t28-,29-/m0/s1.

What are the key properties of N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-amine?

N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-amine has a molecular weight of 558.73 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-amine is sourced from PubChem (CID 170694085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).