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

C16H22N4O — CID 129329776

IUPAC1-propan-2-yl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NC[C@H]1CCn2ccnc2C1
InChIInChI=1S/C16H22N4O/c1-12(2)20-7-3-4-14(20)16(21)18-11-13-5-8-19-9-6-17-15(19)10-13/h3-4,6-7,9,12-13H,5,8,10-11H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyGOPUFNQQJHODPU-ZDUSSCGKSA-N
MW286.38 g/mol
LogP2.26
Rot. Bonds4

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

1-propan-2-yl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrrole-2-carboxamide (PubChem CID 129329776) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-propan-2-yl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrrole-2-carboxamide
PubChem CID129329776
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-propan-2-yl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NC[C@H]1CCn2ccnc2C1
InChIInChI=1S/C16H22N4O/c1-12(2)20-7-3-4-14(20)16(21)18-11-13-5-8-19-9-6-17-15(19)10-13/h3-4,6-7,9,12-13H,5,8,10-11H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyGOPUFNQQJHODPU-ZDUSSCGKSA-N
XLogP2.26
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrrole-2-carboxamide (CID 129329776) is 1-propan-2-yl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrrole-2-carboxamide is CC(C)n1cccc1C(=O)NC[C@H]1CCn2ccnc2C1.
What is the InChIKey of 1-propan-2-yl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrrole-2-carboxamide?
The InChIKey is GOPUFNQQJHODPU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)20-7-3-4-14(20)16(21)18-11-13-5-8-19-9-6-17-15(19)10-13/h3-4,6-7,9,12-13H,5,8,10-11H2,1-2H3,(H,18,21)/t13-/m0/s1.
What are the key properties of 1-propan-2-yl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrrole-2-carboxamide?
1-propan-2-yl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrrole-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 129329776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).