N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen

C19H21FN4O2 — CID 145382238

IUPACN-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
SMILESCc1cc(Oc2ccc(F)cc2)nc2c(C(=O)N[C@@H](C)C3CC3)ncn12.[H][H]
InChIInChI=1S/C19H19FN4O2.H2/c1-11-9-16(26-15-7-5-14(20)6-8-15)23-18-17(21-10-24(11)18)19(25)22-12(2)13-3-4-13;/h5-10,12-13H,3-4H2,1-2H3,(H,22,25);1H/t12-;/m0./s1
InChIKeyIJMLJGCTRYPFKT-YDALLXLXSA-N
MW356.40 g/mol
LogP3.74
Rot. Bonds5

About N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen

N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen (PubChem CID 145382238) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
PubChem CID145382238
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
SMILESCc1cc(Oc2ccc(F)cc2)nc2c(C(=O)N[C@@H](C)C3CC3)ncn12.[H][H]
InChIInChI=1S/C19H19FN4O2.H2/c1-11-9-16(26-15-7-5-14(20)6-8-15)23-18-17(21-10-24(11)18)19(25)22-12(2)13-3-4-13;/h5-10,12-13H,3-4H2,1-2H3,(H,22,25);1H/t12-;/m0./s1
InChIKeyIJMLJGCTRYPFKT-YDALLXLXSA-N
XLogP3.74
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987900
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987993
N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988070
N-(1-cyclopropylethyl)-3-(4-fluorophenyl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987623
N-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988181
N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
CID 145382234
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
2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988012
2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131997911
N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987619
2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987676

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen (CID 145382238) is N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen is Cc1cc(Oc2ccc(F)cc2)nc2c(C(=O)N[C@@H](C)C3CC3)ncn12.[H][H].
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen?
The InChIKey is IJMLJGCTRYPFKT-YDALLXLXSA-N. The full InChI is InChI=1S/C19H19FN4O2.H2/c1-11-9-16(26-15-7-5-14(20)6-8-15)23-18-17(21-10-24(11)18)19(25)22-12(2)13-3-4-13;/h5-10,12-13H,3-4H2,1-2H3,(H,22,25);1H/t12-;/m0./s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen?
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen has a molecular weight of 356.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen is sourced from PubChem (CID 145382238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).