trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazin-2-yl]cyclopropane-1-carboxamide

C30H33ClN8O — CID 165133543

About trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazin-2-yl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazin-2-yl]cyclopropane-1-carboxamide (PubChem CID 165133543) has the molecular formula C30H33ClN8O and a molecular weight of 557.10 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazin-2-yl]cyclopropane-1-carboxamide
• PubChem CID: 165133543
• Molecular Formula: C30H33ClN8O
• Molecular Weight: 557.10 g/mol
• Exact Mass: 556.25
• IUPAC Name: trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazin-2-yl]cyclopropane-1-carboxamide
• SMILES: CN1CCN(c2cc(C3CC3)cn3cc(CNc4cncc(NC(=O)[C@H]5C[C@@H]5c5cccc(Cl)c5)n4)nc23)CC1
• InChI: InChI=1S/C30H33ClN8O/c1-37-7-9-38(10-8-37)26-12-21(19-5-6-19)17-39-18-23(34-29(26)39)14-33-27-15-32-16-28(35-27)36-30(40)25-13-24(25)20-3-2-4-22(31)11-20/h2-4,11-12,15-19,24-25H,5-10,13-14H2,1H3,(H2,33,35,36,40)/t24-,25+/m1/s1
• InChIKey: PNMIFVLMONTSTA-RPBOFIJWSA-N
• XLogP: 4.76
• TPSA: 90.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.10
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazin-2-yl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazin-2-yl]cyclopropane-1-carboxamide (CID 165133543) is trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazin-2-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazin-2-yl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazin-2-yl]cyclopropane-1-carboxamide is CN1CCN(c2cc(C3CC3)cn3cc(CNc4cncc(NC(=O)[C@H]5C[C@@H]5c5cccc(Cl)c5)n4)nc23)CC1.

What is the InChIKey of trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazin-2-yl]cyclopropane-1-carboxamide?

The InChIKey is PNMIFVLMONTSTA-RPBOFIJWSA-N. The full InChI is InChI=1S/C30H33ClN8O/c1-37-7-9-38(10-8-37)26-12-21(19-5-6-19)17-39-18-23(34-29(26)39)14-33-27-15-32-16-28(35-27)36-30(40)25-13-24(25)20-3-2-4-22(31)11-20/h2-4,11-12,15-19,24-25H,5-10,13-14H2,1H3,(H2,33,35,36,40)/t24-,25+/m1/s1.

What are the key properties of trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazin-2-yl]cyclopropane-1-carboxamide?

trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 557.10 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 165133543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).