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

C24H31ClN8O — CID 171581153

IUPAC1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxamide
SMILESCN1CCN(c2ncc(Cl)c(N3CCC(C(=O)NC(C)(C)c4cnc5ccccn45)C3)n2)CC1
InChIInChI=1S/C24H31ClN8O/c1-24(2,19-15-26-20-6-4-5-8-33(19)20)29-22(34)17-7-9-32(16-17)21-18(25)14-27-23(28-21)31-12-10-30(3)11-13-31/h4-6,8,14-15,17H,7,9-13,16H2,1-3H3,(H,29,34)
InChIKeyFNUYKZDPUKOIRL-UHFFFAOYSA-N
MW483.02 g/mol
LogP2.41
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)pyrrolidine-3-carboxamide

1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 171581153) has the molecular formula C24H31ClN8O and a molecular weight of 483.02 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)pyrrolidine-3-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)pyrrolidine-3-carboxamide
PubChem CID171581153
Molecular FormulaC24H31ClN8O
Molecular Weight483.02 g/mol
Exact Mass482.23
IUPAC Name1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxamide
SMILESCN1CCN(c2ncc(Cl)c(N3CCC(C(=O)NC(C)(C)c4cnc5ccccn45)C3)n2)CC1
InChIInChI=1S/C24H31ClN8O/c1-24(2,19-15-26-20-6-4-5-8-33(19)20)29-22(34)17-7-9-32(16-17)21-18(25)14-27-23(28-21)31-12-10-30(3)11-13-31/h4-6,8,14-15,17H,7,9-13,16H2,1-3H3,(H,29,34)
InChIKeyFNUYKZDPUKOIRL-UHFFFAOYSA-N
XLogP2.41
TPSA81.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.02
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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)pyrrolidine-3-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)pyrrolidine-3-carboxamide (CID 171581153) is 1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)pyrrolidine-3-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)pyrrolidine-3-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)pyrrolidine-3-carboxamide is CN1CCN(c2ncc(Cl)c(N3CCC(C(=O)NC(C)(C)c4cnc5ccccn45)C3)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)pyrrolidine-3-carboxamide?
The InChIKey is FNUYKZDPUKOIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN8O/c1-24(2,19-15-26-20-6-4-5-8-33(19)20)29-22(34)17-7-9-32(16-17)21-18(25)14-27-23(28-21)31-12-10-30(3)11-13-31/h4-6,8,14-15,17H,7,9-13,16H2,1-3H3,(H,29,34).
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)pyrrolidine-3-carboxamide?
1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 483.02 g/mol, XLogP of 2.41, 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)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171581153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).