4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide

C14H15N5O — CID 128967450

IUPAC4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESN#Cc1c[nH]c(C(=O)NCC2CCn3ccnc3C2)c1
InChIInChI=1S/C14H15N5O/c15-7-11-5-12(17-9-11)14(20)18-8-10-1-3-19-4-2-16-13(19)6-10/h2,4-5,9-10,17H,1,3,6,8H2,(H,18,20)
InChIKeyKGMBTGYTCICQFN-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.08
Rot. Bonds3

About 4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide

4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 128967450) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID128967450
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESN#Cc1c[nH]c(C(=O)NCC2CCn3ccnc3C2)c1
InChIInChI=1S/C14H15N5O/c15-7-11-5-12(17-9-11)14(20)18-8-10-1-3-19-4-2-16-13(19)6-10/h2,4-5,9-10,17H,1,3,6,8H2,(H,18,20)
InChIKeyKGMBTGYTCICQFN-UHFFFAOYSA-N
XLogP1.08
TPSA86.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

4-cyano-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-2-carboxamide
CID 129478045
5-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-3-carboxamide
CID 128997480
4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide
CID 129006299
2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-imidazole-5-carboxamide
CID 129334440
1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
CID 129328972
2,5-dimethyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrazole-3-carboxamide
CID 129331405
5-(methoxymethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-3-carboxamide
CID 128996092
2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)pyrazole-3-carboxamide
CID 129006386
5-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1,3-oxazole-4-carboxamide
CID 129340499
1-propan-2-yl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrrole-2-carboxamide
CID 129329776
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 129003003
3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide
CID 128966217

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide (CID 128967450) is 4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide is N#Cc1c[nH]c(C(=O)NCC2CCn3ccnc3C2)c1.
What is the InChIKey of 4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is KGMBTGYTCICQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-7-11-5-12(17-9-11)14(20)18-8-10-1-3-19-4-2-16-13(19)6-10/h2,4-5,9-10,17H,1,3,6,8H2,(H,18,20).
What are the key properties of 4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide?
4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 128967450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).