N-(3H-indazol-6-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine

C20H14N6 — CID 165095379

IUPACN-(3H-indazol-6-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine
SMILESc1cnc2cc(-c3ccncc3)nc(Nc3ccc4c(c3)N=NC4)c2c1
InChIInChI=1S/C20H14N6/c1-2-16-19(22-7-1)11-17(13-5-8-21-9-6-13)25-20(16)24-15-4-3-14-12-23-26-18(14)10-15/h1-11H,12H2,(H,24,25)
InChIKeyXKHNFPZSBGZYPT-UHFFFAOYSA-N
MW338.37 g/mol
LogP5.03
Rot. Bonds3

About N-(3H-indazol-6-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine

N-(3H-indazol-6-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine (PubChem CID 165095379) has the molecular formula C20H14N6 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(3H-indazol-6-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine.

Molecular Properties

Compound NameN-(3H-indazol-6-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine
PubChem CID165095379
Molecular FormulaC20H14N6
Molecular Weight338.37 g/mol
Exact Mass338.13
IUPAC NameN-(3H-indazol-6-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine
SMILESc1cnc2cc(-c3ccncc3)nc(Nc3ccc4c(c3)N=NC4)c2c1
InChIInChI=1S/C20H14N6/c1-2-16-19(22-7-1)11-17(13-5-8-21-9-6-13)25-20(16)24-15-4-3-14-12-23-26-18(14)10-15/h1-11H,12H2,(H,24,25)
InChIKeyXKHNFPZSBGZYPT-UHFFFAOYSA-N
XLogP5.03
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.37
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3H-indazol-6-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine?
The IUPAC name of N-(3H-indazol-6-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine (CID 165095379) is N-(3H-indazol-6-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine.
What is the SMILES notation for N-(3H-indazol-6-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine?
The canonical SMILES for N-(3H-indazol-6-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine is c1cnc2cc(-c3ccncc3)nc(Nc3ccc4c(c3)N=NC4)c2c1.
What is the InChIKey of N-(3H-indazol-6-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine?
The InChIKey is XKHNFPZSBGZYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6/c1-2-16-19(22-7-1)11-17(13-5-8-21-9-6-13)25-20(16)24-15-4-3-14-12-23-26-18(14)10-15/h1-11H,12H2,(H,24,25).
What are the key properties of N-(3H-indazol-6-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine?
N-(3H-indazol-6-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine has a molecular weight of 338.37 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-indazol-6-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine is sourced from PubChem (CID 165095379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).