1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide

C25H33ClN8O — CID 163367849

IUPAC1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide
SMILESCN1CCN(c2ncc(Cl)c(N3CCC(C(=O)NC(C)(C)c4cnc5ccccn45)CC3)n2)CC1
InChIInChI=1S/C25H33ClN8O/c1-25(2,20-17-27-21-6-4-5-9-34(20)21)30-23(35)18-7-10-32(11-8-18)22-19(26)16-28-24(29-22)33-14-12-31(3)13-15-33/h4-6,9,16-18H,7-8,10-15H2,1-3H3,(H,30,35)
InChIKeyKNWCCWQAVIJRPO-UHFFFAOYSA-N
MW497.05 g/mol
LogP2.80
Rot. Bonds5

About 1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide

1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide (PubChem CID 163367849) has the molecular formula C25H33ClN8O and a molecular weight of 497.05 g/mol. Its IUPAC name is 1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide
PubChem CID163367849
Molecular FormulaC25H33ClN8O
Molecular Weight497.05 g/mol
Exact Mass496.25
IUPAC Name1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide
SMILESCN1CCN(c2ncc(Cl)c(N3CCC(C(=O)NC(C)(C)c4cnc5ccccn45)CC3)n2)CC1
InChIInChI=1S/C25H33ClN8O/c1-25(2,20-17-27-21-6-4-5-9-34(20)21)30-23(35)18-7-10-32(11-8-18)22-19(26)16-28-24(29-22)33-14-12-31(3)13-15-33/h4-6,9,16-18H,7-8,10-15H2,1-3H3,(H,30,35)
InChIKeyKNWCCWQAVIJRPO-UHFFFAOYSA-N
XLogP2.80
TPSA81.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.05
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide (CID 163367849) is 1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide is CN1CCN(c2ncc(Cl)c(N3CCC(C(=O)NC(C)(C)c4cnc5ccccn45)CC3)n2)CC1.
What is the InChIKey of 1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide?
The InChIKey is KNWCCWQAVIJRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN8O/c1-25(2,20-17-27-21-6-4-5-9-34(20)21)30-23(35)18-7-10-32(11-8-18)22-19(26)16-28-24(29-22)33-14-12-31(3)13-15-33/h4-6,9,16-18H,7-8,10-15H2,1-3H3,(H,30,35).
What are the key properties of 1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide?
1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide has a molecular weight of 497.05 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 163367849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).