2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

C20H16F3N5O2 — CID 131998007

IUPAC2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2cccc3conc23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12
InChIInChI=1S/C20H16F3N5O2/c1-10-7-14(13-4-2-3-12-8-30-27-15(12)13)25-18-16(24-9-28(10)18)19(29)26-17(11-5-6-11)20(21,22)23/h2-4,7-9,11,17H,5-6H2,1H3,(H,26,29)
InChIKeyDECFGRAJDUADRP-UHFFFAOYSA-N
MW415.38 g/mol
LogP3.92
Rot. Bonds4

About 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131998007) has the molecular formula C20H16F3N5O2 and a molecular weight of 415.38 g/mol. Its IUPAC name is 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131998007
Molecular FormulaC20H16F3N5O2
Molecular Weight415.38 g/mol
Exact Mass415.13
IUPAC Name2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2cccc3conc23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12
InChIInChI=1S/C20H16F3N5O2/c1-10-7-14(13-4-2-3-12-8-30-27-15(12)13)25-18-16(24-9-28(10)18)19(29)26-17(11-5-6-11)20(21,22)23/h2-4,7-9,11,17H,5-6H2,1H3,(H,26,29)
InChIKeyDECFGRAJDUADRP-UHFFFAOYSA-N
XLogP3.92
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 131998007) is 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(-c2cccc3conc23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.
What is the InChIKey of 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is DECFGRAJDUADRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2/c1-10-7-14(13-4-2-3-12-8-30-27-15(12)13)25-18-16(24-9-28(10)18)19(29)26-17(11-5-6-11)20(21,22)23/h2-4,7-9,11,17H,5-6H2,1H3,(H,26,29).
What are the key properties of 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 415.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131998007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).