6-(7-chloro-1H-indazol-5-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide

C30H23ClN6O2 — CID 137438664

IUPAC6-(7-chloro-1H-indazol-5-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide
SMILESCc1cccc(CCNC(=O)c2cc3cc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)n1
InChIInChI=1S/C30H23ClN6O2/c1-17-6-5-9-22(34-17)10-11-32-29(38)24-14-20-13-23(19-12-21-16-33-37-27(21)25(31)15-19)26(18-7-3-2-4-8-18)35-28(20)36-30(24)39/h2-9,12-16H,10-11H2,1H3,(H,32,38)(H,33,37)(H,35,36,39)
InChIKeyFVSPSSDXQBTIJH-UHFFFAOYSA-N
MW535.01 g/mol
LogP5.46
Rot. Bonds6

About 6-(7-chloro-1H-indazol-5-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide

6-(7-chloro-1H-indazol-5-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 137438664) has the molecular formula C30H23ClN6O2 and a molecular weight of 535.01 g/mol. Its IUPAC name is 6-(7-chloro-1H-indazol-5-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(7-chloro-1H-indazol-5-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide
PubChem CID137438664
Molecular FormulaC30H23ClN6O2
Molecular Weight535.01 g/mol
Exact Mass534.16
IUPAC Name6-(7-chloro-1H-indazol-5-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide
SMILESCc1cccc(CCNC(=O)c2cc3cc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)n1
InChIInChI=1S/C30H23ClN6O2/c1-17-6-5-9-22(34-17)10-11-32-29(38)24-14-20-13-23(19-12-21-16-33-37-27(21)25(31)15-19)26(18-7-3-2-4-8-18)35-28(20)36-30(24)39/h2-9,12-16H,10-11H2,1H3,(H,32,38)(H,33,37)(H,35,36,39)
InChIKeyFVSPSSDXQBTIJH-UHFFFAOYSA-N
XLogP5.46
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.01
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide (CID 137438664) is 6-(7-chloro-1H-indazol-5-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(7-chloro-1H-indazol-5-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(7-chloro-1H-indazol-5-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide is Cc1cccc(CCNC(=O)c2cc3cc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)n1.
What is the InChIKey of 6-(7-chloro-1H-indazol-5-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is FVSPSSDXQBTIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClN6O2/c1-17-6-5-9-22(34-17)10-11-32-29(38)24-14-20-13-23(19-12-21-16-33-37-27(21)25(31)15-19)26(18-7-3-2-4-8-18)35-28(20)36-30(24)39/h2-9,12-16H,10-11H2,1H3,(H,32,38)(H,33,37)(H,35,36,39).
What are the key properties of 6-(7-chloro-1H-indazol-5-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide?
6-(7-chloro-1H-indazol-5-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 535.01 g/mol, XLogP of 5.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-1H-indazol-5-yl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 137438664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).