4-methyl-2-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]pyrimidine-5-carboxamide

C17H11F3N6OS — CID 151192506

IUPAC4-methyl-2-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]pyrimidine-5-carboxamide
SMILESCc1nc(-c2nccs2)nc(-n2cc(C(F)(F)F)c3ccncc32)c1C(N)=O
InChIInChI=1S/C17H11F3N6OS/c1-8-12(13(21)27)15(25-14(24-8)16-23-4-5-28-16)26-7-10(17(18,19)20)9-2-3-22-6-11(9)26/h2-7H,1H3,(H2,21,27)
InChIKeyNGPNSJKRIDVAER-UHFFFAOYSA-N
MW404.38 g/mol
LogP3.37
Rot. Bonds3

About 4-methyl-2-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]pyrimidine-5-carboxamide

4-methyl-2-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]pyrimidine-5-carboxamide (PubChem CID 151192506) has the molecular formula C17H11F3N6OS and a molecular weight of 404.38 g/mol. Its IUPAC name is 4-methyl-2-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]pyrimidine-5-carboxamide
PubChem CID151192506
Molecular FormulaC17H11F3N6OS
Molecular Weight404.38 g/mol
Exact Mass404.07
IUPAC Name4-methyl-2-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]pyrimidine-5-carboxamide
SMILESCc1nc(-c2nccs2)nc(-n2cc(C(F)(F)F)c3ccncc32)c1C(N)=O
InChIInChI=1S/C17H11F3N6OS/c1-8-12(13(21)27)15(25-14(24-8)16-23-4-5-28-16)26-7-10(17(18,19)20)9-2-3-22-6-11(9)26/h2-7H,1H3,(H2,21,27)
InChIKeyNGPNSJKRIDVAER-UHFFFAOYSA-N
XLogP3.37
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate
CID 71134262
[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate
CID 71134337
4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide
CID 91479222
[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate
CID 71134327
2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 165153565
2-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 67026513
4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidine-5-carboxamide
CID 91514664
2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide
CID 90937410
[2-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrimidin-5-yl] N-[3-(difluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate
CID 71134291
1-hydroxy-3-(trifluoromethyl)pyrrolo[3,2-c]pyridine
CID 137437666
6-methoxyisoquinoline-5-carboxamide
CID 82573912
2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid
CID 56636800

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]pyrimidine-5-carboxamide (CID 151192506) is 4-methyl-2-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]pyrimidine-5-carboxamide is Cc1nc(-c2nccs2)nc(-n2cc(C(F)(F)F)c3ccncc32)c1C(N)=O.
What is the InChIKey of 4-methyl-2-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is NGPNSJKRIDVAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6OS/c1-8-12(13(21)27)15(25-14(24-8)16-23-4-5-28-16)26-7-10(17(18,19)20)9-2-3-22-6-11(9)26/h2-7H,1H3,(H2,21,27).
What are the key properties of 4-methyl-2-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]pyrimidine-5-carboxamide?
4-methyl-2-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 404.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 151192506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).