5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

C23H25N7OS — CID 67390603

IUPAC5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCCCCc1c(C(=O)NC2CCn3cncc32)cnn1-c1ncc(C)c(-c2cccs2)n1
InChIInChI=1S/C23H25N7OS/c1-3-4-6-18-16(22(31)27-17-8-9-29-14-24-13-19(17)29)12-26-30(18)23-25-11-15(2)21(28-23)20-7-5-10-32-20/h5,7,10-14,17H,3-4,6,8-9H2,1-2H3,(H,27,31)
InChIKeyNXCZMRAREVZALZ-UHFFFAOYSA-N
MW447.57 g/mol
LogP4.11
Rot. Bonds7

About 5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 67390603) has the molecular formula C23H25N7OS and a molecular weight of 447.57 g/mol. Its IUPAC name is 5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID67390603
Molecular FormulaC23H25N7OS
Molecular Weight447.57 g/mol
Exact Mass447.18
IUPAC Name5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCCCCc1c(C(=O)NC2CCn3cncc32)cnn1-c1ncc(C)c(-c2cccs2)n1
InChIInChI=1S/C23H25N7OS/c1-3-4-6-18-16(22(31)27-17-8-9-29-14-24-13-19(17)29)12-26-30(18)23-25-11-15(2)21(28-23)20-7-5-10-32-20/h5,7,10-14,17H,3-4,6,8-9H2,1-2H3,(H,27,31)
InChIKeyNXCZMRAREVZALZ-UHFFFAOYSA-N
XLogP4.11
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (CID 67390603) is 5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is CCCCc1c(C(=O)NC2CCn3cncc32)cnn1-c1ncc(C)c(-c2cccs2)n1.
What is the InChIKey of 5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is NXCZMRAREVZALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7OS/c1-3-4-6-18-16(22(31)27-17-8-9-29-14-24-13-19(17)29)12-26-30(18)23-25-11-15(2)21(28-23)20-7-5-10-32-20/h5,7,10-14,17H,3-4,6,8-9H2,1-2H3,(H,27,31).
What are the key properties of 5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 447.57 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 67390603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).