6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbonitrile

C25H18F3N5O — CID 159905192

IUPAC6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbonitrile
SMILESCC1=C(C(=O)Cc2ccc3[nH]ncc3c2)C(c2ccc(C(F)(F)F)cc2)n2nc(C#N)cc2C1
InChIInChI=1S/C25H18F3N5O/c1-14-8-20-11-19(12-29)32-33(20)24(16-3-5-18(6-4-16)25(26,27)28)23(14)22(34)10-15-2-7-21-17(9-15)13-30-31-21/h2-7,9,11,13,24H,8,10H2,1H3,(H,30,31)
InChIKeyNWMBKRGTACVIQD-UHFFFAOYSA-N
MW461.45 g/mol
LogP4.92
Rot. Bonds4

About 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbonitrile

6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbonitrile (PubChem CID 159905192) has the molecular formula C25H18F3N5O and a molecular weight of 461.45 g/mol. Its IUPAC name is 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbonitrile
PubChem CID159905192
Molecular FormulaC25H18F3N5O
Molecular Weight461.45 g/mol
Exact Mass461.15
IUPAC Name6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbonitrile
SMILESCC1=C(C(=O)Cc2ccc3[nH]ncc3c2)C(c2ccc(C(F)(F)F)cc2)n2nc(C#N)cc2C1
InChIInChI=1S/C25H18F3N5O/c1-14-8-20-11-19(12-29)32-33(20)24(16-3-5-18(6-4-16)25(26,27)28)23(14)22(34)10-15-2-7-21-17(9-15)13-30-31-21/h2-7,9,11,13,24H,8,10H2,1H3,(H,30,31)
InChIKeyNWMBKRGTACVIQD-UHFFFAOYSA-N
XLogP4.92
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbonitrile (CID 159905192) is 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbonitrile is CC1=C(C(=O)Cc2ccc3[nH]ncc3c2)C(c2ccc(C(F)(F)F)cc2)n2nc(C#N)cc2C1.
What is the InChIKey of 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbonitrile?
The InChIKey is NWMBKRGTACVIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O/c1-14-8-20-11-19(12-29)32-33(20)24(16-3-5-18(6-4-16)25(26,27)28)23(14)22(34)10-15-2-7-21-17(9-15)13-30-31-21/h2-7,9,11,13,24H,8,10H2,1H3,(H,30,31).
What are the key properties of 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbonitrile?
6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbonitrile has a molecular weight of 461.45 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carbonitrile is sourced from PubChem (CID 159905192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).