4,5-dimethyl-N-[2-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide

C19H15F3N6O — CID 90241468

IUPAC4,5-dimethyl-N-[2-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4cccnc4C(F)(F)F)cc3c2)c1C
InChIInChI=1S/C19H15F3N6O/c1-9-10(2)27-28-15(9)18(29)25-12-6-11-7-14(26-17(11)24-8-12)13-4-3-5-23-16(13)19(20,21)22/h3-8H,1-2H3,(H,24,26)(H,25,29)(H,27,28)
InChIKeyCDKCJDJECZOFOL-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.24
Rot. Bonds3

About 4,5-dimethyl-N-[2-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide

4,5-dimethyl-N-[2-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide (PubChem CID 90241468) has the molecular formula C19H15F3N6O and a molecular weight of 400.36 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
PubChem CID90241468
Molecular FormulaC19H15F3N6O
Molecular Weight400.36 g/mol
Exact Mass400.13
IUPAC Name4,5-dimethyl-N-[2-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4cccnc4C(F)(F)F)cc3c2)c1C
InChIInChI=1S/C19H15F3N6O/c1-9-10(2)27-28-15(9)18(29)25-12-6-11-7-14(26-17(11)24-8-12)13-4-3-5-23-16(13)19(20,21)22/h3-8H,1-2H3,(H,24,26)(H,25,29)(H,27,28)
InChIKeyCDKCJDJECZOFOL-UHFFFAOYSA-N
XLogP4.24
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[2-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide (CID 90241468) is 4,5-dimethyl-N-[2-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[2-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[2-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4cccnc4C(F)(F)F)cc3c2)c1C.
What is the InChIKey of 4,5-dimethyl-N-[2-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is CDKCJDJECZOFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O/c1-9-10(2)27-28-15(9)18(29)25-12-6-11-7-14(26-17(11)24-8-12)13-4-3-5-23-16(13)19(20,21)22/h3-8H,1-2H3,(H,24,26)(H,25,29)(H,27,28).
What are the key properties of 4,5-dimethyl-N-[2-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
4,5-dimethyl-N-[2-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90241468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).