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

C19H15F3N6OS — CID 91514664

IUPAC4-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
SMILESCc1csc(-c2ncc(C(=O)Nn3cc(CC(F)(F)F)c4cnccc43)c(C)n2)n1
InChIInChI=1S/C19H15F3N6OS/c1-10-9-30-18(25-10)16-24-7-13(11(2)26-16)17(29)27-28-8-12(5-19(20,21)22)14-6-23-4-3-15(14)28/h3-4,6-9H,5H2,1-2H3,(H,27,29)
InChIKeyUFEHFKLBBRWRSG-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.06
Rot. Bonds4

About 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

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 (PubChem CID 91514664) has the molecular formula C19H15F3N6OS and a molecular weight of 432.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID91514664
Molecular FormulaC19H15F3N6OS
Molecular Weight432.43 g/mol
Exact Mass432.10
IUPAC Name4-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
SMILESCc1csc(-c2ncc(C(=O)Nn3cc(CC(F)(F)F)c4cnccc43)c(C)n2)n1
InChIInChI=1S/C19H15F3N6OS/c1-10-9-30-18(25-10)16-24-7-13(11(2)26-16)17(29)27-28-8-12(5-19(20,21)22)14-6-23-4-3-15(14)28/h3-4,6-9H,5H2,1-2H3,(H,27,29)
InChIKeyUFEHFKLBBRWRSG-UHFFFAOYSA-N
XLogP4.06
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1csc(-c2ncc(C(=O)Nn3cc(CC(F)(F)F)c4cnccc43)c(C)n2)n1.
What is the InChIKey of 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?
The InChIKey is UFEHFKLBBRWRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6OS/c1-10-9-30-18(25-10)16-24-7-13(11(2)26-16)17(29)27-28-8-12(5-19(20,21)22)14-6-23-4-3-15(14)28/h3-4,6-9H,5H2,1-2H3,(H,27,29).
What are the key properties of 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?
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 has a molecular weight of 432.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91514664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).