2-(3-cyano-5-methylfuran-2-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

C19H16F3N5O2 — CID 131987952

IUPAC2-(3-cyano-5-methylfuran-2-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(C#N)c(-c2cc(C)n3cnc(C(=O)N[C@@H](C4CC4)C(F)(F)F)c3n2)o1
InChIInChI=1S/C19H16F3N5O2/c1-9-5-13(15-12(7-23)6-10(2)29-15)25-17-14(24-8-27(9)17)18(28)26-16(11-3-4-11)19(20,21)22/h5-6,8,11,16H,3-4H2,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyQWGXAHSCQPHDMD-INIZCTEOSA-N
MW403.36 g/mol
LogP3.55
Rot. Bonds4

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

2-(3-cyano-5-methylfuran-2-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131987952) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is 2-(3-cyano-5-methylfuran-2-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-(3-cyano-5-methylfuran-2-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131987952
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC Name2-(3-cyano-5-methylfuran-2-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(C#N)c(-c2cc(C)n3cnc(C(=O)N[C@@H](C4CC4)C(F)(F)F)c3n2)o1
InChIInChI=1S/C19H16F3N5O2/c1-9-5-13(15-12(7-23)6-10(2)29-15)25-17-14(24-8-27(9)17)18(28)26-16(11-3-4-11)19(20,21)22/h5-6,8,11,16H,3-4H2,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyQWGXAHSCQPHDMD-INIZCTEOSA-N
XLogP3.55
TPSA96.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988102
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987672
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987871
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(5-methyl-1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987791
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 159924588
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987993
2-(2-cyano-3-fluorophenyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 157433969
N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
CID 145382234
N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988070
2-cyano-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131997986
N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987619
2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988012

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-5-methylfuran-2-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-(3-cyano-5-methylfuran-2-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 131987952) is 2-(3-cyano-5-methylfuran-2-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-(3-cyano-5-methylfuran-2-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-(3-cyano-5-methylfuran-2-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(C#N)c(-c2cc(C)n3cnc(C(=O)N[C@@H](C4CC4)C(F)(F)F)c3n2)o1.
What is the InChIKey of 2-(3-cyano-5-methylfuran-2-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is QWGXAHSCQPHDMD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c1-9-5-13(15-12(7-23)6-10(2)29-15)25-17-14(24-8-27(9)17)18(28)26-16(11-3-4-11)19(20,21)22/h5-6,8,11,16H,3-4H2,1-2H3,(H,26,28)/t16-/m0/s1.
What are the key properties of 2-(3-cyano-5-methylfuran-2-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
2-(3-cyano-5-methylfuran-2-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-5-methylfuran-2-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131987952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).