5-[3-cyano-4-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)quinolin-6-yl]pyridine-2-carboxamide

C25H18FN5O — CID 171527147

IUPAC5-[3-cyano-4-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)quinolin-6-yl]pyridine-2-carboxamide
SMILESCc1cc2c(cc1F)CCN2c1c(C#N)cnc2ccc(-c3ccc(C(N)=O)nc3)cc12
InChIInChI=1S/C25H18FN5O/c1-14-8-23-16(10-20(14)26)6-7-31(23)24-18(11-27)13-29-21-4-2-15(9-19(21)24)17-3-5-22(25(28)32)30-12-17/h2-5,8-10,12-13H,6-7H2,1H3,(H2,28,32)
InChIKeyKOOORPVWFHGYGH-UHFFFAOYSA-N
MW423.45 g/mol
LogP4.41
Rot. Bonds3

About 5-[3-cyano-4-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)quinolin-6-yl]pyridine-2-carboxamide

5-[3-cyano-4-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)quinolin-6-yl]pyridine-2-carboxamide (PubChem CID 171527147) has the molecular formula C25H18FN5O and a molecular weight of 423.45 g/mol. Its IUPAC name is 5-[3-cyano-4-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)quinolin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyano-4-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)quinolin-6-yl]pyridine-2-carboxamide
PubChem CID171527147
Molecular FormulaC25H18FN5O
Molecular Weight423.45 g/mol
Exact Mass423.15
IUPAC Name5-[3-cyano-4-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)quinolin-6-yl]pyridine-2-carboxamide
SMILESCc1cc2c(cc1F)CCN2c1c(C#N)cnc2ccc(-c3ccc(C(N)=O)nc3)cc12
InChIInChI=1S/C25H18FN5O/c1-14-8-23-16(10-20(14)26)6-7-31(23)24-18(11-27)13-29-21-4-2-15(9-19(21)24)17-3-5-22(25(28)32)30-12-17/h2-5,8-10,12-13H,6-7H2,1H3,(H2,28,32)
InChIKeyKOOORPVWFHGYGH-UHFFFAOYSA-N
XLogP4.41
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyano-4-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)quinolin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[3-cyano-4-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)quinolin-6-yl]pyridine-2-carboxamide (CID 171527147) is 5-[3-cyano-4-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)quinolin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-cyano-4-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)quinolin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-cyano-4-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)quinolin-6-yl]pyridine-2-carboxamide is Cc1cc2c(cc1F)CCN2c1c(C#N)cnc2ccc(-c3ccc(C(N)=O)nc3)cc12.
What is the InChIKey of 5-[3-cyano-4-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)quinolin-6-yl]pyridine-2-carboxamide?
The InChIKey is KOOORPVWFHGYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O/c1-14-8-23-16(10-20(14)26)6-7-31(23)24-18(11-27)13-29-21-4-2-15(9-19(21)24)17-3-5-22(25(28)32)30-12-17/h2-5,8-10,12-13H,6-7H2,1H3,(H2,28,32).
What are the key properties of 5-[3-cyano-4-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)quinolin-6-yl]pyridine-2-carboxamide?
5-[3-cyano-4-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)quinolin-6-yl]pyridine-2-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyano-4-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)quinolin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 171527147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).