[1-(3-fluoroazetidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone

C16H21FN4O2 — CID 155870893

IUPAC[1-(3-fluoroazetidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ncn2c1CCC(C(=O)N1CCCC1)C2)N1CC(F)C1
InChIInChI=1S/C16H21FN4O2/c17-12-8-20(9-12)16(23)14-13-4-3-11(7-21(13)10-18-14)15(22)19-5-1-2-6-19/h10-12H,1-9H2
InChIKeyLUMYQSBNEMGBGS-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.86
Rot. Bonds2

About [1-(3-fluoroazetidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone

[1-(3-fluoroazetidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 155870893) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is [1-(3-fluoroazetidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-fluoroazetidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID155870893
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name[1-(3-fluoroazetidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ncn2c1CCC(C(=O)N1CCCC1)C2)N1CC(F)C1
InChIInChI=1S/C16H21FN4O2/c17-12-8-20(9-12)16(23)14-13-4-3-11(7-21(13)10-18-14)15(22)19-5-1-2-6-19/h10-12H,1-9H2
InChIKeyLUMYQSBNEMGBGS-UHFFFAOYSA-N
XLogP0.86
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 155871765
N-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 155872309
N-cyclopentyl-1-(4-hydroxypiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide
CID 155871661
[1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 125128090
N-cyclopentyl-1-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide
CID 155872449
[1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 125128663
6-N-cyclobutyl-1-N,1-N-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155879426
1-N,1-N-diethyl-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872091
[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]-piperidin-1-ylmethanone
CID 91894328
6-N-cyclobutyl-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872544
azepan-1-yl-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone
CID 91924497
(4-prop-2-ynylpiperazin-1-yl)-[(6R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanone
CID 125421886

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoroazetidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(3-fluoroazetidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone (CID 155870893) is [1-(3-fluoroazetidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(3-fluoroazetidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(3-fluoroazetidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone is O=C(c1ncn2c1CCC(C(=O)N1CCCC1)C2)N1CC(F)C1.
What is the InChIKey of [1-(3-fluoroazetidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LUMYQSBNEMGBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c17-12-8-20(9-12)16(23)14-13-4-3-11(7-21(13)10-18-14)15(22)19-5-1-2-6-19/h10-12H,1-9H2.
What are the key properties of [1-(3-fluoroazetidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
[1-(3-fluoroazetidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 320.37 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoroazetidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155870893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).