[2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-7-ylmethanone

C13H15N3O2 — CID 112531921

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-7-ylmethanone
SMILESO=C(c1ccn2cncc2c1)N1CCCC1CO
InChIInChI=1S/C13H15N3O2/c17-8-11-2-1-4-16(11)13(18)10-3-5-15-9-14-7-12(15)6-10/h3,5-7,9,11,17H,1-2,4,8H2
InChIKeyDCIAANPTRJMRFT-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.93
Rot. Bonds2

About [2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-7-ylmethanone

[2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-7-ylmethanone (PubChem CID 112531921) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-7-ylmethanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-7-ylmethanone
PubChem CID112531921
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-7-ylmethanone
SMILESO=C(c1ccn2cncc2c1)N1CCCC1CO
InChIInChI=1S/C13H15N3O2/c17-8-11-2-1-4-16(11)13(18)10-3-5-15-9-14-7-12(15)6-10/h3,5-7,9,11,17H,1-2,4,8H2
InChIKeyDCIAANPTRJMRFT-UHFFFAOYSA-N
XLogP0.93
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 104629891
(5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103860842
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66262411
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376
(2,6-dichloro-4-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104955470
[2-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443421
(3,5-dibromophenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103909408
(3,4-dihydroxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103956460
(4-bromo-3-fluorophenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030390
2,3-dihydro-1,4-benzodioxin-6-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028312
2,3-dihydro-1,4-benzodioxin-6-yl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61410964
(3-amino-4-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210089

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-7-ylmethanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-7-ylmethanone (CID 112531921) is [2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-7-ylmethanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-7-ylmethanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-7-ylmethanone is O=C(c1ccn2cncc2c1)N1CCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-7-ylmethanone?
The InChIKey is DCIAANPTRJMRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-8-11-2-1-4-16(11)13(18)10-3-5-15-9-14-7-12(15)6-10/h3,5-7,9,11,17H,1-2,4,8H2.
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-7-ylmethanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-7-ylmethanone has a molecular weight of 245.28 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-7-ylmethanone is sourced from PubChem (CID 112531921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).