2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

C18H18ClN5O — CID 131988012

IUPAC2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2ccnc(Cl)c2)nc2c(C(=O)NC(C)C3CC3)ncn12
InChIInChI=1S/C18H18ClN5O/c1-10-7-14(13-5-6-20-15(19)8-13)23-17-16(21-9-24(10)17)18(25)22-11(2)12-3-4-12/h5-9,11-12H,3-4H2,1-2H3,(H,22,25)
InChIKeyFEJZOGOCAOLRFY-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.28
Rot. Bonds4

About 2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131988012) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131988012
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2ccnc(Cl)c2)nc2c(C(=O)NC(C)C3CC3)ncn12
InChIInChI=1S/C18H18ClN5O/c1-10-7-14(13-5-6-20-15(19)8-13)23-17-16(21-9-24(10)17)18(25)22-11(2)12-3-4-12/h5-9,11-12H,3-4H2,1-2H3,(H,22,25)
InChIKeyFEJZOGOCAOLRFY-UHFFFAOYSA-N
XLogP3.28
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987993
2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131997911
N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988070
2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987676
2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987930
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987871
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
CID 145382238
N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
CID 145382234
N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987900
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987672
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987826
N-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987827

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 131988012) is 2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(-c2ccnc(Cl)c2)nc2c(C(=O)NC(C)C3CC3)ncn12.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is FEJZOGOCAOLRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-10-7-14(13-5-6-20-15(19)8-13)23-17-16(21-9-24(10)17)18(25)22-11(2)12-3-4-12/h5-9,11-12H,3-4H2,1-2H3,(H,22,25).
What are the key properties of 2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131988012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).