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

C19H19FN4O — CID 131987993

IUPACN-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2ccc(F)cc2)nc2c(C(=O)N[C@@H](C)C3CC3)ncn12
InChIInChI=1S/C19H19FN4O/c1-11-9-16(14-5-7-15(20)8-6-14)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)/t12-/m0/s1
InChIKeyMCVYTFGSDUKZQE-LBPRGKRZSA-N
MW338.39 g/mol
LogP3.37
Rot. Bonds4

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

N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131987993) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131987993
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2ccc(F)cc2)nc2c(C(=O)N[C@@H](C)C3CC3)ncn12
InChIInChI=1S/C19H19FN4O/c1-11-9-16(14-5-7-15(20)8-6-14)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)/t12-/m0/s1
InChIKeyMCVYTFGSDUKZQE-LBPRGKRZSA-N
XLogP3.37
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 131987993) is N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(-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-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is MCVYTFGSDUKZQE-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-11-9-16(14-5-7-15(20)8-6-14)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)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131987993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).