N-[3-(2-phenoxyethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

C25H24N6O3 — CID 59490760

IUPACN-[3-(2-phenoxyethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1
InChIInChI=1S/C25H24N6O3/c32-24(26-10-12-34-20-7-2-1-3-8-20)17-5-4-6-19(13-17)29-25(33)31-11-9-21-18(16-31)14-27-23-22(21)15-28-30-23/h1-8,13-15H,9-12,16H2,(H,26,32)(H,29,33)(H,27,28,30)
InChIKeyYPLNYLHQVZFWIC-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.36
Rot. Bonds6

About N-[3-(2-phenoxyethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

N-[3-(2-phenoxyethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (PubChem CID 59490760) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is N-[3-(2-phenoxyethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(2-phenoxyethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
PubChem CID59490760
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC NameN-[3-(2-phenoxyethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1
InChIInChI=1S/C25H24N6O3/c32-24(26-10-12-34-20-7-2-1-3-8-20)17-5-4-6-19(13-17)29-25(33)31-11-9-21-18(16-31)14-27-23-22(21)15-28-30-23/h1-8,13-15H,9-12,16H2,(H,26,32)(H,29,33)(H,27,28,30)
InChIKeyYPLNYLHQVZFWIC-UHFFFAOYSA-N
XLogP3.36
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenoxyethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The IUPAC name of N-[3-(2-phenoxyethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (CID 59490760) is N-[3-(2-phenoxyethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.
What is the SMILES notation for N-[3-(2-phenoxyethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The canonical SMILES for N-[3-(2-phenoxyethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is O=C(NCCOc1ccccc1)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1.
What is the InChIKey of N-[3-(2-phenoxyethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The InChIKey is YPLNYLHQVZFWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c32-24(26-10-12-34-20-7-2-1-3-8-20)17-5-4-6-19(13-17)29-25(33)31-11-9-21-18(16-31)14-27-23-22(21)15-28-30-23/h1-8,13-15H,9-12,16H2,(H,26,32)(H,29,33)(H,27,28,30).
What are the key properties of N-[3-(2-phenoxyethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
N-[3-(2-phenoxyethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide has a molecular weight of 456.51 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenoxyethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is sourced from PubChem (CID 59490760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).