5-butyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(5-methyl-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide

C25H30N8O — CID 67391153

IUPAC5-butyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(5-methyl-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCCCCc1c(C(=O)NCc2cnc3ccccn23)cnn1-c1ncc(C)c(N2CCCC2)n1
InChIInChI=1S/C25H30N8O/c1-3-4-9-21-20(24(34)27-16-19-15-26-22-10-5-6-13-32(19)22)17-29-33(21)25-28-14-18(2)23(30-25)31-11-7-8-12-31/h5-6,10,13-15,17H,3-4,7-9,11-12,16H2,1-2H3,(H,27,34)
InChIKeyGRUCLMYDEITOOE-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.49
Rot. Bonds8

About 5-butyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(5-methyl-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide

5-butyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(5-methyl-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 67391153) has the molecular formula C25H30N8O and a molecular weight of 458.57 g/mol. Its IUPAC name is 5-butyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(5-methyl-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-butyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(5-methyl-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID67391153
Molecular FormulaC25H30N8O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC Name5-butyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(5-methyl-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCCCCc1c(C(=O)NCc2cnc3ccccn23)cnn1-c1ncc(C)c(N2CCCC2)n1
InChIInChI=1S/C25H30N8O/c1-3-4-9-21-20(24(34)27-16-19-15-26-22-10-5-6-13-32(19)22)17-29-33(21)25-28-14-18(2)23(30-25)31-11-7-8-12-31/h5-6,10,13-15,17H,3-4,7-9,11-12,16H2,1-2H3,(H,27,34)
InChIKeyGRUCLMYDEITOOE-UHFFFAOYSA-N
XLogP3.49
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(5-methyl-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-butyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(5-methyl-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide (CID 67391153) is 5-butyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(5-methyl-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-butyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(5-methyl-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-butyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(5-methyl-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide is CCCCc1c(C(=O)NCc2cnc3ccccn23)cnn1-c1ncc(C)c(N2CCCC2)n1.
What is the InChIKey of 5-butyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(5-methyl-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is GRUCLMYDEITOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O/c1-3-4-9-21-20(24(34)27-16-19-15-26-22-10-5-6-13-32(19)22)17-29-33(21)25-28-14-18(2)23(30-25)31-11-7-8-12-31/h5-6,10,13-15,17H,3-4,7-9,11-12,16H2,1-2H3,(H,27,34).
What are the key properties of 5-butyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(5-methyl-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
5-butyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(5-methyl-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(5-methyl-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 67391153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).