[1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone

C16H14ClN5O — CID 134787455

IUPAC[1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nc(-c2ccc(Cl)nc2)c2cnccn12)N1CCCC1
InChIInChI=1S/C16H14ClN5O/c17-13-4-3-11(9-19-13)14-12-10-18-5-8-22(12)15(20-14)16(23)21-6-1-2-7-21/h3-5,8-10H,1-2,6-7H2
InChIKeyDMRQLWMUBKVVJO-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.68
Rot. Bonds2

About [1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone

[1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134787455) has the molecular formula C16H14ClN5O and a molecular weight of 327.77 g/mol. Its IUPAC name is [1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID134787455
Molecular FormulaC16H14ClN5O
Molecular Weight327.77 g/mol
Exact Mass327.09
IUPAC Name[1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nc(-c2ccc(Cl)nc2)c2cnccn12)N1CCCC1
InChIInChI=1S/C16H14ClN5O/c17-13-4-3-11(9-19-13)14-12-10-18-5-8-22(12)15(20-14)16(23)21-6-1-2-7-21/h3-5,8-10H,1-2,6-7H2
InChIKeyDMRQLWMUBKVVJO-UHFFFAOYSA-N
XLogP2.68
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide
CID 134789741
[1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 134795474
1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide
CID 134795389
[1-(2,4-dichlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 134789556
N-(4-hydroxycyclohexyl)-5-(3-methylimidazo[1,5-a]pyrazin-1-yl)pyridine-2-carboxamide
CID 176790846
pyrazolo[1,5-a]pyrazin-3-yl(pyrrolidin-1-yl)methanone
CID 103120002
[4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone
CID 10273200
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070651
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897
(6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 168678066
[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone
CID 53207752
[3-(6-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone
CID 134790372

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone (CID 134787455) is [1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1nc(-c2ccc(Cl)nc2)c2cnccn12)N1CCCC1.
What is the InChIKey of [1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DMRQLWMUBKVVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c17-13-4-3-11(9-19-13)14-12-10-18-5-8-22(12)15(20-14)16(23)21-6-1-2-7-21/h3-5,8-10H,1-2,6-7H2.
What are the key properties of [1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone?
[1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 327.77 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134787455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).