5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid

C20H20FN3O3 — CID 90004363

IUPAC5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2cc3cc(CN4CCC(F)CC4)ccc3[nH]2)c1
InChIInChI=1S/C20H20FN3O3/c21-15-3-5-24(6-4-15)11-12-1-2-17-13(7-12)9-18(23-17)16-8-14(20(26)27)10-22-19(16)25/h1-2,7-10,15,23H,3-6,11H2,(H,22,25)(H,26,27)
InChIKeyGPLCCNHBGHXNRT-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.16
Rot. Bonds4

About 5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid

5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 90004363) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID90004363
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2cc3cc(CN4CCC(F)CC4)ccc3[nH]2)c1
InChIInChI=1S/C20H20FN3O3/c21-15-3-5-24(6-4-15)11-12-1-2-17-13(7-12)9-18(23-17)16-8-14(20(26)27)10-22-19(16)25/h1-2,7-10,15,23H,3-6,11H2,(H,22,25)(H,26,27)
InChIKeyGPLCCNHBGHXNRT-UHFFFAOYSA-N
XLogP3.16
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid
CID 140560628
3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668265
3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668304
1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol
CID 69324713
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
N-[6-oxo-5-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-pyridin-3-yl]-1-[(1R)-1-phenylethyl]pyrazole-4-carboxamide
CID 66852997
N-[[1-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperidin-4-yl]methyl]methanesulfonamide
CID 10226748
3-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668224
1-[1-(4-fluorophenyl)ethyl]-N-[6-oxo-5-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-pyridin-3-yl]pyrazole-4-carboxamide
CID 70803775
1-[(4-chlorophenyl)methyl]-N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide
CID 157308509
3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid
CID 141148126
3-[5-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1H-quinolin-2-one;methanesulfonic acid
CID 10164597

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid (CID 90004363) is 5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1c[nH]c(=O)c(-c2cc3cc(CN4CCC(F)CC4)ccc3[nH]2)c1.
What is the InChIKey of 5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is GPLCCNHBGHXNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-15-3-5-24(6-4-15)11-12-1-2-17-13(7-12)9-18(23-17)16-8-14(20(26)27)10-22-19(16)25/h1-2,7-10,15,23H,3-6,11H2,(H,22,25)(H,26,27).
What are the key properties of 5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid?
5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 369.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 90004363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).