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

C27H21ClFN5O2 — CID 118665251

IUPAC6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide
SMILESCc1cnc2c(C(N)=O)cc(Cc3cc(C(=O)NCc4ccc5[nH]cc(Cl)c5c4F)ccn3)cc2c1
InChIInChI=1S/C27H21ClFN5O2/c1-14-6-18-7-15(9-20(26(30)35)25(18)33-11-14)8-19-10-16(4-5-31-19)27(36)34-12-17-2-3-22-23(24(17)29)21(28)13-32-22/h2-7,9-11,13,32H,8,12H2,1H3,(H2,30,35)(H,34,36)
InChIKeyLJDMUPONZYUBTQ-UHFFFAOYSA-N
MW501.95 g/mol
LogP4.83
Rot. Bonds6

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

6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide (PubChem CID 118665251) has the molecular formula C27H21ClFN5O2 and a molecular weight of 501.95 g/mol. Its IUPAC name is 6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide.

Molecular Properties

Compound Name6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide
PubChem CID118665251
Molecular FormulaC27H21ClFN5O2
Molecular Weight501.95 g/mol
Exact Mass501.14
IUPAC Name6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide
SMILESCc1cnc2c(C(N)=O)cc(Cc3cc(C(=O)NCc4ccc5[nH]cc(Cl)c5c4F)ccn3)cc2c1
InChIInChI=1S/C27H21ClFN5O2/c1-14-6-18-7-15(9-20(26(30)35)25(18)33-11-14)8-19-10-16(4-5-31-19)27(36)34-12-17-2-3-22-23(24(17)29)21(28)13-32-22/h2-7,9-11,13,32H,8,12H2,1H3,(H2,30,35)(H,34,36)
InChIKeyLJDMUPONZYUBTQ-UHFFFAOYSA-N
XLogP4.83
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.95
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[[4-[(3-chloro-4-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

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide?
The IUPAC name of 6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide (CID 118665251) is 6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide.
What is the SMILES notation for 6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide?
The canonical SMILES for 6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide is Cc1cnc2c(C(N)=O)cc(Cc3cc(C(=O)NCc4ccc5[nH]cc(Cl)c5c4F)ccn3)cc2c1.
What is the InChIKey of 6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide?
The InChIKey is LJDMUPONZYUBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClFN5O2/c1-14-6-18-7-15(9-20(26(30)35)25(18)33-11-14)8-19-10-16(4-5-31-19)27(36)34-12-17-2-3-22-23(24(17)29)21(28)13-32-22/h2-7,9-11,13,32H,8,12H2,1H3,(H2,30,35)(H,34,36).
What are the key properties of 6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide?
6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide has a molecular weight of 501.95 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxamide is sourced from PubChem (CID 118665251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).