2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide

C20H19F3N4O2 — CID 131988071

IUPAC2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2cccc(OC3CC3)c2)nc2c(C(=O)NC(C)C(F)(F)F)ncn12
InChIInChI=1S/C20H19F3N4O2/c1-11-8-16(13-4-3-5-15(9-13)29-14-6-7-14)26-18-17(24-10-27(11)18)19(28)25-12(2)20(21,22)23/h3-5,8-10,12,14H,6-7H2,1-2H3,(H,25,28)
InChIKeySSOGSODFZMMUBR-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.93
Rot. Bonds5

About 2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide

2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131988071) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131988071
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2cccc(OC3CC3)c2)nc2c(C(=O)NC(C)C(F)(F)F)ncn12
InChIInChI=1S/C20H19F3N4O2/c1-11-8-16(13-4-3-5-15(9-13)29-14-6-7-14)26-18-17(24-10-27(11)18)19(28)25-12(2)20(21,22)23/h3-5,8-10,12,14H,6-7H2,1-2H3,(H,25,28)
InChIKeySSOGSODFZMMUBR-UHFFFAOYSA-N
XLogP3.93
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide (CID 131988071) is 2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(-c2cccc(OC3CC3)c2)nc2c(C(=O)NC(C)C(F)(F)F)ncn12.
What is the InChIKey of 2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is SSOGSODFZMMUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-11-8-16(13-4-3-5-15(9-13)29-14-6-7-14)26-18-17(24-10-27(11)18)19(28)25-12(2)20(21,22)23/h3-5,8-10,12,14H,6-7H2,1-2H3,(H,25,28).
What are the key properties of 2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131988071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).