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

C14H15N5O — CID 129478045

IUPAC4-cyano-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESN#Cc1c[nH]c(C(=O)NC[C@@H]2CCc3nccn3C2)c1
InChIInChI=1S/C14H15N5O/c15-6-11-5-12(17-8-11)14(20)18-7-10-1-2-13-16-3-4-19(13)9-10/h3-5,8,10,17H,1-2,7,9H2,(H,18,20)/t10-/m0/s1
InChIKeyMXJXCFLUHDOWAV-JTQLQIEISA-N
MW269.31 g/mol
LogP1.08
Rot. Bonds3

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

4-cyano-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 129478045) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-cyano-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID129478045
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-cyano-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESN#Cc1c[nH]c(C(=O)NC[C@@H]2CCc3nccn3C2)c1
InChIInChI=1S/C14H15N5O/c15-6-11-5-12(17-8-11)14(20)18-7-10-1-2-13-16-3-4-19(13)9-10/h3-5,8,10,17H,1-2,7,9H2,(H,18,20)/t10-/m0/s1
InChIKeyMXJXCFLUHDOWAV-JTQLQIEISA-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

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Related Compounds

4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide
CID 128967450
N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-5-carboxamide
CID 129472235
2,6-dimethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide
CID 129340522
1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128994207
5-ethyl-3-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]furan-2-carboxamide
CID 129328694
2,4-difluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 128995704
5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylamino)methyl]thiophene-3-carbonitrile
CID 128967292
5-chloro-6-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridine-3-carbonitrile
CID 129473044
N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 129329951
3-ethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-carboxamide
CID 129472100
1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995675
1-(2-ethoxyethyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995723

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-2-carboxamide (CID 129478045) is 4-cyano-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-2-carboxamide is N#Cc1c[nH]c(C(=O)NC[C@@H]2CCc3nccn3C2)c1.
What is the InChIKey of 4-cyano-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is MXJXCFLUHDOWAV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N5O/c15-6-11-5-12(17-8-11)14(20)18-7-10-1-2-13-16-3-4-19(13)9-10/h3-5,8,10,17H,1-2,7,9H2,(H,18,20)/t10-/m0/s1.
What are the key properties of 4-cyano-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-2-carboxamide?
4-cyano-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-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-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 129478045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).