3-methyl-4-(3-nitrophenyl)-1-phenyl-4,9-dihydropyrazolo[5,4-b][1,8]naphthyridine

C22H17N5O2 — CID 137250297

IUPAC3-methyl-4-(3-nitrophenyl)-1-phenyl-4,9-dihydropyrazolo[5,4-b][1,8]naphthyridine
SMILESCc1nn(-c2ccccc2)c2c1C(c1cccc([N+](=O)[O-])c1)c1cccnc1N2
InChIInChI=1S/C22H17N5O2/c1-14-19-20(15-7-5-10-17(13-15)27(28)29)18-11-6-12-23-21(18)24-22(19)26(25-14)16-8-3-2-4-9-16/h2-13,20H,1H3,(H,23,24)
InChIKeyYNQNNIFPQLCBEX-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.72
Rot. Bonds3

About 3-methyl-4-(3-nitrophenyl)-1-phenyl-4,9-dihydropyrazolo[5,4-b][1,8]naphthyridine

3-methyl-4-(3-nitrophenyl)-1-phenyl-4,9-dihydropyrazolo[5,4-b][1,8]naphthyridine (PubChem CID 137250297) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 3-methyl-4-(3-nitrophenyl)-1-phenyl-4,9-dihydropyrazolo[5,4-b][1,8]naphthyridine.

Molecular Properties

Compound Name3-methyl-4-(3-nitrophenyl)-1-phenyl-4,9-dihydropyrazolo[5,4-b][1,8]naphthyridine
PubChem CID137250297
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name3-methyl-4-(3-nitrophenyl)-1-phenyl-4,9-dihydropyrazolo[5,4-b][1,8]naphthyridine
SMILESCc1nn(-c2ccccc2)c2c1C(c1cccc([N+](=O)[O-])c1)c1cccnc1N2
InChIInChI=1S/C22H17N5O2/c1-14-19-20(15-7-5-10-17(13-15)27(28)29)18-11-6-12-23-21(18)24-22(19)26(25-14)16-8-3-2-4-9-16/h2-13,20H,1H3,(H,23,24)
InChIKeyYNQNNIFPQLCBEX-UHFFFAOYSA-N
XLogP4.72
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-(3-nitrophenyl)-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one
CID 5173326
3-methyl-4-(3-nitrophenyl)-1-phenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 2941506
3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135493499
15-methyl-17-(3-nitrophenyl)-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-one
CID 3273364
6,10-dimethyl-8-(3-nitrophenyl)-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
CID 137178190
(4S)-6-(2-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine
CID 2455127
4-(3-nitrophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620940
2,6-dimethyl-3-nitro-4-(3-nitrophenyl)-5-pyridin-2-yl-1,4-dihydropyridine
CID 14998972
2-[(4R,7S)-3-methyl-4-(3-nitrophenyl)-5-oxo-7-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-1-yl]benzoic acid
CID 136899090
8-(3-chlorophenyl)-6-methyl-4-phenyl-12-sulfanylidene-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-trien-10-one
CID 137250235
(4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 135906159
2,5-dimethylpyrazol-3-amine;methyl 1,3,6-trimethyl-4-(3-nitrophenyl)-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
CID 160717521

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-nitrophenyl)-1-phenyl-4,9-dihydropyrazolo[5,4-b][1,8]naphthyridine?
The IUPAC name of 3-methyl-4-(3-nitrophenyl)-1-phenyl-4,9-dihydropyrazolo[5,4-b][1,8]naphthyridine (CID 137250297) is 3-methyl-4-(3-nitrophenyl)-1-phenyl-4,9-dihydropyrazolo[5,4-b][1,8]naphthyridine.
What is the SMILES notation for 3-methyl-4-(3-nitrophenyl)-1-phenyl-4,9-dihydropyrazolo[5,4-b][1,8]naphthyridine?
The canonical SMILES for 3-methyl-4-(3-nitrophenyl)-1-phenyl-4,9-dihydropyrazolo[5,4-b][1,8]naphthyridine is Cc1nn(-c2ccccc2)c2c1C(c1cccc([N+](=O)[O-])c1)c1cccnc1N2.
What is the InChIKey of 3-methyl-4-(3-nitrophenyl)-1-phenyl-4,9-dihydropyrazolo[5,4-b][1,8]naphthyridine?
The InChIKey is YNQNNIFPQLCBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-14-19-20(15-7-5-10-17(13-15)27(28)29)18-11-6-12-23-21(18)24-22(19)26(25-14)16-8-3-2-4-9-16/h2-13,20H,1H3,(H,23,24).
What are the key properties of 3-methyl-4-(3-nitrophenyl)-1-phenyl-4,9-dihydropyrazolo[5,4-b][1,8]naphthyridine?
3-methyl-4-(3-nitrophenyl)-1-phenyl-4,9-dihydropyrazolo[5,4-b][1,8]naphthyridine has a molecular weight of 383.41 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-nitrophenyl)-1-phenyl-4,9-dihydropyrazolo[5,4-b][1,8]naphthyridine is sourced from PubChem (CID 137250297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).