N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

C19H21F5N4O — CID 159924588

IUPACN-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(C2CCCC(F)(F)C2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12
InChIInChI=1S/C19H21F5N4O/c1-10-7-13(12-3-2-6-18(20,21)8-12)26-16-14(25-9-28(10)16)17(29)27-15(11-4-5-11)19(22,23)24/h7,9,11-12,15H,2-6,8H2,1H3,(H,27,29)
InChIKeyNYVMYRZBRCXUQW-UHFFFAOYSA-N
MW416.39 g/mol
LogP4.40
Rot. Bonds4

About N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 159924588) has the molecular formula C19H21F5N4O and a molecular weight of 416.39 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID159924588
Molecular FormulaC19H21F5N4O
Molecular Weight416.39 g/mol
Exact Mass416.16
IUPAC NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(C2CCCC(F)(F)C2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12
InChIInChI=1S/C19H21F5N4O/c1-10-7-13(12-3-2-6-18(20,21)8-12)26-16-14(25-9-28(10)16)17(29)27-15(11-4-5-11)19(22,23)24/h7,9,11-12,15H,2-6,8H2,1H3,(H,27,29)
InChIKeyNYVMYRZBRCXUQW-UHFFFAOYSA-N
XLogP4.40
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 159924588) is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(C2CCCC(F)(F)C2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.
What is the InChIKey of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is NYVMYRZBRCXUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F5N4O/c1-10-7-13(12-3-2-6-18(20,21)8-12)26-16-14(25-9-28(10)16)17(29)27-15(11-4-5-11)19(22,23)24/h7,9,11-12,15H,2-6,8H2,1H3,(H,27,29).
What are the key properties of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 416.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 159924588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).