2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine

C15H13ClN4 — CID 121326295

IUPAC2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESClc1cc(N2CCc3ccncc3C2)c2cn[nH]c2c1
InChIInChI=1S/C15H13ClN4/c16-12-5-14-13(8-18-19-14)15(6-12)20-4-2-10-1-3-17-7-11(10)9-20/h1,3,5-8H,2,4,9H2,(H,18,19)
InChIKeyCMXSWCCZBTVPFA-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.17
Rot. Bonds1

About 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine

2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 121326295) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID121326295
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESClc1cc(N2CCc3ccncc3C2)c2cn[nH]c2c1
InChIInChI=1S/C15H13ClN4/c16-12-5-14-13(8-18-19-14)15(6-12)20-4-2-10-1-3-17-7-11(10)9-20/h1,3,5-8H,2,4,9H2,(H,18,19)
InChIKeyCMXSWCCZBTVPFA-UHFFFAOYSA-N
XLogP3.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine (CID 121326295) is 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine is Clc1cc(N2CCc3ccncc3C2)c2cn[nH]c2c1.
What is the InChIKey of 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is CMXSWCCZBTVPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c16-12-5-14-13(8-18-19-14)15(6-12)20-4-2-10-1-3-17-7-11(10)9-20/h1,3,5-8H,2,4,9H2,(H,18,19).
What are the key properties of 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine?
2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 284.75 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 121326295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).