N-[[7-(5-chloro-3-methyl-1H-indole-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide

C27H24ClFN4O2 — CID 42323702

IUPACN-[[7-(5-chloro-3-methyl-1H-indole-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide
SMILESCc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C(=O)c1[nH]c3ccc(Cl)cc3c1C)C2
InChIInChI=1S/C27H24ClFN4O2/c1-15-21-11-18(28)7-8-24(21)32-25(15)27(35)33-10-9-19-17(14-33)12-30-16(2)22(19)13-31-26(34)20-5-3-4-6-23(20)29/h3-8,11-12,32H,9-10,13-14H2,1-2H3,(H,31,34)
InChIKeyZWDSECMPYHFYNH-UHFFFAOYSA-N
MW490.97 g/mol
LogP5.10
Rot. Bonds4

About N-[[7-(5-chloro-3-methyl-1H-indole-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide

N-[[7-(5-chloro-3-methyl-1H-indole-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide (PubChem CID 42323702) has the molecular formula C27H24ClFN4O2 and a molecular weight of 490.97 g/mol. Its IUPAC name is N-[[7-(5-chloro-3-methyl-1H-indole-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[7-(5-chloro-3-methyl-1H-indole-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide
PubChem CID42323702
Molecular FormulaC27H24ClFN4O2
Molecular Weight490.97 g/mol
Exact Mass490.16
IUPAC NameN-[[7-(5-chloro-3-methyl-1H-indole-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide
SMILESCc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C(=O)c1[nH]c3ccc(Cl)cc3c1C)C2
InChIInChI=1S/C27H24ClFN4O2/c1-15-21-11-18(28)7-8-24(21)32-25(15)27(35)33-10-9-19-17(14-33)12-30-16(2)22(19)13-31-26(34)20-5-3-4-6-23(20)29/h3-8,11-12,32H,9-10,13-14H2,1-2H3,(H,31,34)
InChIKeyZWDSECMPYHFYNH-UHFFFAOYSA-N
XLogP5.10
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.97
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(5-chloro-3-methyl-1H-indole-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[7-(5-chloro-3-methyl-1H-indole-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide (CID 42323702) is N-[[7-(5-chloro-3-methyl-1H-indole-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[7-(5-chloro-3-methyl-1H-indole-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[7-(5-chloro-3-methyl-1H-indole-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide is Cc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C(=O)c1[nH]c3ccc(Cl)cc3c1C)C2.
What is the InChIKey of N-[[7-(5-chloro-3-methyl-1H-indole-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide?
The InChIKey is ZWDSECMPYHFYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN4O2/c1-15-21-11-18(28)7-8-24(21)32-25(15)27(35)33-10-9-19-17(14-33)12-30-16(2)22(19)13-31-26(34)20-5-3-4-6-23(20)29/h3-8,11-12,32H,9-10,13-14H2,1-2H3,(H,31,34).
What are the key properties of N-[[7-(5-chloro-3-methyl-1H-indole-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide?
N-[[7-(5-chloro-3-methyl-1H-indole-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide has a molecular weight of 490.97 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(5-chloro-3-methyl-1H-indole-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 42323702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).