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

C24H23N5O2 — CID 59490566

IUPAC3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESCOc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)Nc2ccccc2)CC4)cc1
InChIInChI=1S/C24H23N5O2/c1-31-20-9-7-17(8-10-20)15-29-23-22(14-26-29)21-11-12-28(16-18(21)13-25-23)24(30)27-19-5-3-2-4-6-19/h2-10,13-14H,11-12,15-16H2,1H3,(H,27,30)
InChIKeyXDXATBNWGQZZHI-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.08
Rot. Bonds4

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

3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (PubChem CID 59490566) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
PubChem CID59490566
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESCOc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)Nc2ccccc2)CC4)cc1
InChIInChI=1S/C24H23N5O2/c1-31-20-9-7-17(8-10-20)15-29-23-22(14-26-29)21-11-12-28(16-18(21)13-25-23)24(30)27-19-5-3-2-4-6-19/h2-10,13-14H,11-12,15-16H2,1H3,(H,27,30)
InChIKeyXDXATBNWGQZZHI-UHFFFAOYSA-N
XLogP4.08
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine
CID 59490448
7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine
CID 59490619
ethyl 3-isocyanatobenzoate;ethyl 3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carbonylamino)benzoate;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carbonylamino)benzoic acid
CID 158839935
3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine
CID 59490375
1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid
CID 175377648
3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride
CID 91073110
N-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53014130
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone
CID 46836770
5-[(4-methoxyphenyl)methyl]-4,5,7-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaene
CID 59490743
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31116432
4-(4-methoxyphenyl)-2-methyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 134794013
N-ethyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147131

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (CID 59490566) is 3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is COc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)Nc2ccccc2)CC4)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The InChIKey is XDXATBNWGQZZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-31-20-9-7-17(8-10-20)15-29-23-22(14-26-29)21-11-12-28(16-18(21)13-25-23)24(30)27-19-5-3-2-4-6-19/h2-10,13-14H,11-12,15-16H2,1H3,(H,27,30).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is sourced from PubChem (CID 59490566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).