N-(3-acetylphenyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

C26H25N5O3 — CID 91456018

IUPACN-(3-acetylphenyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESCOc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)Nc2cccc(C(C)=O)c2)CC4)cc1
InChIInChI=1S/C26H25N5O3/c1-17(32)19-4-3-5-21(12-19)29-26(33)30-11-10-23-20(16-30)13-27-25-24(23)14-28-31(25)15-18-6-8-22(34-2)9-7-18/h3-9,12-14H,10-11,15-16H2,1-2H3,(H,29,33)
InChIKeyOPIXFRPORHCPOS-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.28
Rot. Bonds5

About N-(3-acetylphenyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

N-(3-acetylphenyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (PubChem CID 91456018) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
PubChem CID91456018
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC NameN-(3-acetylphenyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESCOc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)Nc2cccc(C(C)=O)c2)CC4)cc1
InChIInChI=1S/C26H25N5O3/c1-17(32)19-4-3-5-21(12-19)29-26(33)30-11-10-23-20(16-30)13-27-25-24(23)14-28-31(25)15-18-6-8-22(34-2)9-7-18/h3-9,12-14H,10-11,15-16H2,1-2H3,(H,29,33)
InChIKeyOPIXFRPORHCPOS-UHFFFAOYSA-N
XLogP4.28
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (CID 91456018) is N-(3-acetylphenyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is COc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)Nc2cccc(C(C)=O)c2)CC4)cc1.
What is the InChIKey of N-(3-acetylphenyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The InChIKey is OPIXFRPORHCPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-17(32)19-4-3-5-21(12-19)29-26(33)30-11-10-23-20(16-30)13-27-25-24(23)14-28-31(25)15-18-6-8-22(34-2)9-7-18/h3-9,12-14H,10-11,15-16H2,1-2H3,(H,29,33).
What are the key properties of N-(3-acetylphenyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
N-(3-acetylphenyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is sourced from PubChem (CID 91456018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).