4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide

C18H13F3N6OS — CID 91479222

IUPAC4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide
SMILESCc1nc(-c2nccs2)ncc1C(=O)Nn1cc(CC(F)(F)F)c2cccnc21
InChIInChI=1S/C18H13F3N6OS/c1-10-13(8-24-14(25-10)17-23-5-6-29-17)16(28)26-27-9-11(7-18(19,20)21)12-3-2-4-22-15(12)27/h2-6,8-9H,7H2,1H3,(H,26,28)
InChIKeyVIZWTCXJRLXJGC-UHFFFAOYSA-N
MW418.40 g/mol
LogP3.75
Rot. Bonds4

About 4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide

4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide (PubChem CID 91479222) has the molecular formula C18H13F3N6OS and a molecular weight of 418.40 g/mol. Its IUPAC name is 4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide
PubChem CID91479222
Molecular FormulaC18H13F3N6OS
Molecular Weight418.40 g/mol
Exact Mass418.08
IUPAC Name4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide
SMILESCc1nc(-c2nccs2)ncc1C(=O)Nn1cc(CC(F)(F)F)c2cccnc21
InChIInChI=1S/C18H13F3N6OS/c1-10-13(8-24-14(25-10)17-23-5-6-29-17)16(28)26-27-9-11(7-18(19,20)21)12-3-2-4-22-15(12)27/h2-6,8-9H,7H2,1H3,(H,26,28)
InChIKeyVIZWTCXJRLXJGC-UHFFFAOYSA-N
XLogP3.75
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

4-methyl-2-pyrimidin-2-yl-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide
CID 91458147
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
[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
2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrimidine-5-carboxamide
CID 90994505
N-[3-ethyl-5-(trifluoromethyl)indol-1-yl]-4-methyl-2-pyrimidin-2-ylpyrimidine-5-carboxamide
CID 59199982
N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 59199955
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
N-[3-ethyl-5-(trifluoromethoxy)indol-1-yl]-4-methyl-2-pyrimidin-2-ylpyrimidine-5-carboxamide
CID 59200000
N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 25099693
N-(3-ethylpyrrolo[2,3-c]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 157423007
N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 59200027
[2-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrimidin-5-yl] N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)carbamate
CID 71134034

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 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) is 4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide is Cc1nc(-c2nccs2)ncc1C(=O)Nn1cc(CC(F)(F)F)c2cccnc21.
What is the InChIKey of 4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is VIZWTCXJRLXJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6OS/c1-10-13(8-24-14(25-10)17-23-5-6-29-17)16(28)26-27-9-11(7-18(19,20)21)12-3-2-4-22-15(12)27/h2-6,8-9H,7H2,1H3,(H,26,28).
What are the key properties of 4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide?
4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 418.40 g/mol, XLogP of 3.75, 4 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)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 91479222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).