N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

C19H19FN4O2 — CID 131987900

IUPACN-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(Oc2cccc(F)c2)nc2c(C(=O)N[C@@H](C)C3CC3)ncn12
InChIInChI=1S/C19H19FN4O2/c1-11-8-16(26-15-5-3-4-14(20)9-15)23-18-17(21-10-24(11)18)19(25)22-12(2)13-6-7-13/h3-5,8-10,12-13H,6-7H2,1-2H3,(H,22,25)/t12-/m0/s1
InChIKeyUXHZPEMCTKUZRZ-LBPRGKRZSA-N
MW354.39 g/mol
LogP3.50
Rot. Bonds5

About N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131987900) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131987900
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC NameN-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(Oc2cccc(F)c2)nc2c(C(=O)N[C@@H](C)C3CC3)ncn12
InChIInChI=1S/C19H19FN4O2/c1-11-8-16(26-15-5-3-4-14(20)9-15)23-18-17(21-10-24(11)18)19(25)22-12(2)13-6-7-13/h3-5,8-10,12-13H,6-7H2,1-2H3,(H,22,25)/t12-/m0/s1
InChIKeyUXHZPEMCTKUZRZ-LBPRGKRZSA-N
XLogP3.50
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.50
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-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 131987900) is N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(Oc2cccc(F)c2)nc2c(C(=O)N[C@@H](C)C3CC3)ncn12.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is UXHZPEMCTKUZRZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-11-8-16(26-15-5-3-4-14(20)9-15)23-18-17(21-10-24(11)18)19(25)22-12(2)13-6-7-13/h3-5,8-10,12-13H,6-7H2,1-2H3,(H,22,25)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 3.50, 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-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131987900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).