N-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

C21H23N6O+ — CID 59490834

IUPACN-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2c(cnc3n[nH]c(C4=CC[NH2+]CC4)c23)C1
InChIInChI=1S/C21H22N6O/c28-21(24-16-4-2-1-3-5-16)27-11-8-17-15(13-27)12-23-20-18(17)19(25-26-20)14-6-9-22-10-7-14/h1-6,12,22H,7-11,13H2,(H,24,28)(H,23,25,26)/p+1
InChIKeyWESDSWDUQIHZPM-UHFFFAOYSA-O
MW375.46 g/mol
LogP1.90
Rot. Bonds2

About N-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

N-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (PubChem CID 59490834) has the molecular formula C21H23N6O+ and a molecular weight of 375.46 g/mol. Its IUPAC name is N-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
PubChem CID59490834
Molecular FormulaC21H23N6O+
Molecular Weight375.46 g/mol
Exact Mass375.19
IUPAC NameN-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2c(cnc3n[nH]c(C4=CC[NH2+]CC4)c23)C1
InChIInChI=1S/C21H22N6O/c28-21(24-16-4-2-1-3-5-16)27-11-8-17-15(13-27)12-23-20-18(17)19(25-26-20)14-6-9-22-10-7-14/h1-6,12,22H,7-11,13H2,(H,24,28)(H,23,25,26)/p+1
InChIKeyWESDSWDUQIHZPM-UHFFFAOYSA-O
XLogP1.90
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The IUPAC name of N-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (CID 59490834) is N-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.
What is the SMILES notation for N-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The canonical SMILES for N-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is O=C(Nc1ccccc1)N1CCc2c(cnc3n[nH]c(C4=CC[NH2+]CC4)c23)C1.
What is the InChIKey of N-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The InChIKey is WESDSWDUQIHZPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H22N6O/c28-21(24-16-4-2-1-3-5-16)27-11-8-17-15(13-27)12-23-20-18(17)19(25-26-20)14-6-9-22-10-7-14/h1-6,12,22H,7-11,13H2,(H,24,28)(H,23,25,26)/p+1.
What are the key properties of N-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
N-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide has a molecular weight of 375.46 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is sourced from PubChem (CID 59490834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).