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

C20H21FN4O2 — CID 131987827

IUPACN-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCOCc1cc(-c2ccc(F)cc2)nc2c(C(=O)NC(C)C3CC3)ncn12
InChIInChI=1S/C20H21FN4O2/c1-12(13-3-4-13)23-20(26)18-19-24-17(14-5-7-15(21)8-6-14)9-16(10-27-2)25(19)11-22-18/h5-9,11-13H,3-4,10H2,1-2H3,(H,23,26)
InChIKeyYCWHQBNDNKHLJZ-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.21
Rot. Bonds6

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

N-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131987827) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131987827
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCOCc1cc(-c2ccc(F)cc2)nc2c(C(=O)NC(C)C3CC3)ncn12
InChIInChI=1S/C20H21FN4O2/c1-12(13-3-4-13)23-20(26)18-19-24-17(14-5-7-15(21)8-6-14)9-16(10-27-2)25(19)11-22-18/h5-9,11-13H,3-4,10H2,1-2H3,(H,23,26)
InChIKeyYCWHQBNDNKHLJZ-UHFFFAOYSA-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-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(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

1-[3-[7-[2-Amino-6-(methoxymethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44546689
(3,4-dihydro-1H-isochromen-1-ylmethyl){[8-methyl-2-(piperidin-1-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
CID 16191684
N-[2-[(4-bromophenyl)methoxy]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 145962136
6-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-N,N,3-trimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 89702341
1-[2-(Cyclopropanecarbonyl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 89702382
6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 71695881
6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1S)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 71696002
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 89733921
6-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1S)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 89733943
8-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-N-[(1R)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 89734141
6-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 89734214
8-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-N-[(1S)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 89734224

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide (CID 131987827) is N-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide is COCc1cc(-c2ccc(F)cc2)nc2c(C(=O)NC(C)C3CC3)ncn12.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is YCWHQBNDNKHLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-12(13-3-4-13)23-20(26)18-19-24-17(14-5-7-15(21)8-6-14)9-16(10-27-2)25(19)11-22-18/h5-9,11-13H,3-4,10H2,1-2H3,(H,23,26).
What are the key properties of N-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
N-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(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-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131987827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).