N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide

C16H14F3N5OS — CID 131987672

IUPACN-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2cnsc2)nc2c(C(=O)N[C@@H](C3CC3)C(F)(F)F)ncn12
InChIInChI=1S/C16H14F3N5OS/c1-8-4-11(10-5-21-26-6-10)22-14-12(20-7-24(8)14)15(25)23-13(9-2-3-9)16(17,18)19/h4-7,9,13H,2-3H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyNPHOOEDNACZDGB-ZDUSSCGKSA-N
MW381.38 g/mol
LogP3.23
Rot. Bonds4

About N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide

N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131987672) has the molecular formula C16H14F3N5OS and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131987672
Molecular FormulaC16H14F3N5OS
Molecular Weight381.38 g/mol
Exact Mass381.09
IUPAC NameN-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2cnsc2)nc2c(C(=O)N[C@@H](C3CC3)C(F)(F)F)ncn12
InChIInChI=1S/C16H14F3N5OS/c1-8-4-11(10-5-21-26-6-10)22-14-12(20-7-24(8)14)15(25)23-13(9-2-3-9)16(17,18)19/h4-7,9,13H,2-3H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyNPHOOEDNACZDGB-ZDUSSCGKSA-N
XLogP3.23
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988102
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987871
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
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 159924588
N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988070
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987993
N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
CID 145382234
2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988012
2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131997911
N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987619
2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987787

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 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) is N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(-c2cnsc2)nc2c(C(=O)N[C@@H](C3CC3)C(F)(F)F)ncn12.
What is the InChIKey of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is NPHOOEDNACZDGB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H14F3N5OS/c1-8-4-11(10-5-21-26-6-10)22-14-12(20-7-24(8)14)15(25)23-13(9-2-3-9)16(17,18)19/h4-7,9,13H,2-3H2,1H3,(H,23,25)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131987672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).