N-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide

C20H21FN4O2 — CID 131988181

IUPACN-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCOCc1cc(-c2ccc(F)cc2)n2cnc(C(=O)N[C@@H](C)C3CC3)c2n1
InChIInChI=1S/C20H21FN4O2/c1-12(13-3-4-13)23-20(26)18-19-24-16(10-27-2)9-17(25(19)11-22-18)14-5-7-15(21)8-6-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,23,26)/t12-/m0/s1
InChIKeyRLBJWIDCPKWHPV-LBPRGKRZSA-N
MW368.41 g/mol
LogP3.21
Rot. Bonds6

About N-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide

N-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131988181) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131988181
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCOCc1cc(-c2ccc(F)cc2)n2cnc(C(=O)N[C@@H](C)C3CC3)c2n1
InChIInChI=1S/C20H21FN4O2/c1-12(13-3-4-13)23-20(26)18-19-24-16(10-27-2)9-17(25(19)11-22-18)14-5-7-15(21)8-6-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,23,26)/t12-/m0/s1
InChIKeyRLBJWIDCPKWHPV-LBPRGKRZSA-N
XLogP3.21
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide 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-(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
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987993
N-(1-cyclopropylethyl)-3-(4-fluorophenyl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987623
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
CID 145382238
N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988070
N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987900
2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987930
4-(methoxymethyl)-2-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987956
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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide (CID 131988181) is N-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide is COCc1cc(-c2ccc(F)cc2)n2cnc(C(=O)N[C@@H](C)C3CC3)c2n1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is RLBJWIDCPKWHPV-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-12(13-3-4-13)23-20(26)18-19-24-16(10-27-2)9-17(25(19)11-22-18)14-5-7-15(21)8-6-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,23,26)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
N-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131988181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).