6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide

C27H22FN5O2 — CID 118665428

IUPAC6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide
SMILESCc1cnc2c(C(N)=O)cc(Cc3cc(C(=O)NCc4cc5cc[nH]c5cc4F)ccn3)cc2c1
InChIInChI=1S/C27H22FN5O2/c1-15-6-19-7-16(9-22(26(29)34)25(19)32-13-15)8-21-11-18(3-4-30-21)27(35)33-14-20-10-17-2-5-31-24(17)12-23(20)28/h2-7,9-13,31H,8,14H2,1H3,(H2,29,34)(H,33,35)
InChIKeyUZTOCULVDVRYTA-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.18
Rot. Bonds6

About 6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide

6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide (PubChem CID 118665428) has the molecular formula C27H22FN5O2 and a molecular weight of 467.50 g/mol. Its IUPAC name is 6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide.

Molecular Properties

Compound Name6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide
PubChem CID118665428
Molecular FormulaC27H22FN5O2
Molecular Weight467.50 g/mol
Exact Mass467.18
IUPAC Name6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide
SMILESCc1cnc2c(C(N)=O)cc(Cc3cc(C(=O)NCc4cc5cc[nH]c5cc4F)ccn3)cc2c1
InChIInChI=1S/C27H22FN5O2/c1-15-6-19-7-16(9-22(26(29)34)25(19)32-13-15)8-21-11-18(3-4-30-21)27(35)33-14-20-10-17-2-5-31-24(17)12-23(20)28/h2-7,9-13,31H,8,14H2,1H3,(H2,29,34)(H,33,35)
InChIKeyUZTOCULVDVRYTA-UHFFFAOYSA-N
XLogP4.18
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-[[4-[(3-chloro-6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide
CID 146325917
3-chloro-6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide;ethane
CID 145002044
2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(6-fluoro-1H-indol-5-yl)methanamine
CID 160878239
6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide
CID 146326177
N-[(6-fluoro-1H-indol-5-yl)methyl]acetamide
CID 145002042
6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methane;methyl 6-[(4-methoxycarbonyl-2-pyridinyl)methyl]-3-methylquinoline-8-carboxylate
CID 160671400
5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
CID 160509135
(2Z)-3-fluoro-N,2-dimethylpenta-2,4-dien-1-amine;6-[(4-formyl-2-pyridinyl)methyl]-3-methylquinoline-8-carboxamide
CID 145002121
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[[6-(methylaminomethyl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 144881115
5-(aminomethyl)-6-methylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;bis(methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate);hydrochloride
CID 160730229
ethane;N-[[3-methyl-4-[(Z)-pent-2-en-3-yl]phenyl]methyl]-2-[(3-methyl-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 145222332
2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide
CID 145222381

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide?
The IUPAC name of 6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide (CID 118665428) is 6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide.
What is the SMILES notation for 6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide?
The canonical SMILES for 6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide is Cc1cnc2c(C(N)=O)cc(Cc3cc(C(=O)NCc4cc5cc[nH]c5cc4F)ccn3)cc2c1.
What is the InChIKey of 6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide?
The InChIKey is UZTOCULVDVRYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O2/c1-15-6-19-7-16(9-22(26(29)34)25(19)32-13-15)8-21-11-18(3-4-30-21)27(35)33-14-20-10-17-2-5-31-24(17)12-23(20)28/h2-7,9-13,31H,8,14H2,1H3,(H2,29,34)(H,33,35).
What are the key properties of 6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide?
6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide has a molecular weight of 467.50 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide is sourced from PubChem (CID 118665428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).