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

C20H21FN4O2 — CID 131987826

IUPACN-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCOCc1cc(-c2ccc(F)cc2)nc2c(C(=O)N[C@@H](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)/t12-/m0/s1
InChIKeyYCWHQBNDNKHLJZ-LBPRGKRZSA-N
MW368.41 g/mol
LogP3.21
Rot. Bonds6

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

N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131987826) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131987826
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCOCc1cc(-c2ccc(F)cc2)nc2c(C(=O)N[C@@H](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)/t12-/m0/s1
InChIKeyYCWHQBNDNKHLJZ-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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide (CID 131987826) is N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide is COCc1cc(-c2ccc(F)cc2)nc2c(C(=O)N[C@@H](C)C3CC3)ncn12.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is YCWHQBNDNKHLJZ-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
N-[(1S)-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-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131987826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).