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

C19H14F3N5O — CID 146638261

IUPAC5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1c[nH]c(-c2[nH]nc3ncccc23)c1
InChIInChI=1S/C19H14F3N5O/c20-19(21,22)13-4-1-3-11(7-13)9-25-18(28)12-8-15(24-10-12)16-14-5-2-6-23-17(14)27-26-16/h1-8,10,24H,9H2,(H,25,28)(H,23,26,27)
InChIKeyZJXIGELCILMGDN-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.90
Rot. Bonds4

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

5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 146638261) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-3-carboxamide
PubChem CID146638261
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1c[nH]c(-c2[nH]nc3ncccc23)c1
InChIInChI=1S/C19H14F3N5O/c20-19(21,22)13-4-1-3-11(7-13)9-25-18(28)12-8-15(24-10-12)16-14-5-2-6-23-17(14)27-26-16/h1-8,10,24H,9H2,(H,25,28)(H,23,26,27)
InChIKeyZJXIGELCILMGDN-UHFFFAOYSA-N
XLogP3.90
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide
CID 146637909
N-[2-(4-chlorophenyl)ethyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide
CID 146637583
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 46908391
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 74246545
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162886
2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117087020
5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 43337163
2-pyrimidin-2-ylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 4271129

Frequently Asked Questions

What is the IUPAC name of 5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-3-carboxamide (CID 146638261) is 5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-3-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1c[nH]c(-c2[nH]nc3ncccc23)c1.
What is the InChIKey of 5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is ZJXIGELCILMGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c20-19(21,22)13-4-1-3-11(7-13)9-25-18(28)12-8-15(24-10-12)16-14-5-2-6-23-17(14)27-26-16/h1-8,10,24H,9H2,(H,25,28)(H,23,26,27).
What are the key properties of 5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-3-carboxamide?
5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 385.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 146638261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).