5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide

C24H27N7OS — CID 67391228

IUPAC5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide
SMILESCCCCc1c(C(=O)NC2CCCn3cncc32)cnn1-c1ncc(C)c(-c2cccs2)n1
InChIInChI=1S/C24H27N7OS/c1-3-4-8-19-17(23(32)28-18-7-5-10-30-15-25-14-20(18)30)13-27-31(19)24-26-12-16(2)22(29-24)21-9-6-11-33-21/h6,9,11-15,18H,3-5,7-8,10H2,1-2H3,(H,28,32)
InChIKeyDDDVAAQJHWXFCB-UHFFFAOYSA-N
MW461.60 g/mol
LogP4.50
Rot. Bonds7

About 5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide

5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide (PubChem CID 67391228) has the molecular formula C24H27N7OS and a molecular weight of 461.60 g/mol. Its IUPAC name is 5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide
PubChem CID67391228
Molecular FormulaC24H27N7OS
Molecular Weight461.60 g/mol
Exact Mass461.20
IUPAC Name5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide
SMILESCCCCc1c(C(=O)NC2CCCn3cncc32)cnn1-c1ncc(C)c(-c2cccs2)n1
InChIInChI=1S/C24H27N7OS/c1-3-4-8-19-17(23(32)28-18-7-5-10-30-15-25-14-20(18)30)13-27-31(19)24-26-12-16(2)22(29-24)21-9-6-11-33-21/h6,9,11-15,18H,3-5,7-8,10H2,1-2H3,(H,28,32)
InChIKeyDDDVAAQJHWXFCB-UHFFFAOYSA-N
XLogP4.50
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide with MolForge

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Related Compounds

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CID 67390603
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acetaldehyde;[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide (CID 67391228) is 5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide is CCCCc1c(C(=O)NC2CCCn3cncc32)cnn1-c1ncc(C)c(-c2cccs2)n1.
What is the InChIKey of 5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide?
The InChIKey is DDDVAAQJHWXFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7OS/c1-3-4-8-19-17(23(32)28-18-7-5-10-30-15-25-14-20(18)30)13-27-31(19)24-26-12-16(2)22(29-24)21-9-6-11-33-21/h6,9,11-15,18H,3-5,7-8,10H2,1-2H3,(H,28,32).
What are the key properties of 5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide?
5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide has a molecular weight of 461.60 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 67391228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).