3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide

C19H17F3N6O2 — CID 164624011

IUPAC3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2[nH]cc(-c3[nH]nc4nc(C(F)(F)F)ccc34)c2C)no1
InChIInChI=1S/C19H17F3N6O2/c1-8-6-13(28-30-8)10(3)24-18(29)15-9(2)12(7-23-15)16-11-4-5-14(19(20,21)22)25-17(11)27-26-16/h4-7,10,23H,1-3H3,(H,24,29)(H,25,26,27)
InChIKeyYNOKBZQUIDJFKW-UHFFFAOYSA-N
MW418.38 g/mol
LogP4.07
Rot. Bonds4

About 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide

3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide (PubChem CID 164624011) has the molecular formula C19H17F3N6O2 and a molecular weight of 418.38 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide
PubChem CID164624011
Molecular FormulaC19H17F3N6O2
Molecular Weight418.38 g/mol
Exact Mass418.14
IUPAC Name3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2[nH]cc(-c3[nH]nc4nc(C(F)(F)F)ccc34)c2C)no1
InChIInChI=1S/C19H17F3N6O2/c1-8-6-13(28-30-8)10(3)24-18(29)15-9(2)12(7-23-15)16-11-4-5-14(19(20,21)22)25-17(11)27-26-16/h4-7,10,23H,1-3H3,(H,24,29)(H,25,26,27)
InChIKeyYNOKBZQUIDJFKW-UHFFFAOYSA-N
XLogP4.07
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide (CID 164624011) is 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide is Cc1cc(C(C)NC(=O)c2[nH]cc(-c3[nH]nc4nc(C(F)(F)F)ccc34)c2C)no1.
What is the InChIKey of 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is YNOKBZQUIDJFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O2/c1-8-6-13(28-30-8)10(3)24-18(29)15-9(2)12(7-23-15)16-11-4-5-14(19(20,21)22)25-17(11)27-26-16/h4-7,10,23H,1-3H3,(H,24,29)(H,25,26,27).
What are the key properties of 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide?
3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164624011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).