(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C16H17N5O3 — CID 75517412

IUPAC(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCc2ncc([N+](=O)[O-])cc2C1
InChIInChI=1S/C16H17N5O3/c22-16(15-12-3-1-2-4-14(12)18-19-15)20-6-5-13-10(9-20)7-11(8-17-13)21(23)24/h7-8H,1-6,9H2,(H,18,19)
InChIKeySPKBGNSCIRIWNT-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.79
Rot. Bonds2

About (3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 75517412) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is (3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID75517412
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCc2ncc([N+](=O)[O-])cc2C1
InChIInChI=1S/C16H17N5O3/c22-16(15-12-3-1-2-4-14(12)18-19-15)20-6-5-13-10(9-20)7-11(8-17-13)21(23)24/h7-8H,1-6,9H2,(H,18,19)
InChIKeySPKBGNSCIRIWNT-UHFFFAOYSA-N
XLogP1.79
TPSA105.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

6-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 139007401
3,4-dihydro-1H-isoquinolin-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 7694246
(2,4-dimethyl-1,3-thiazol-5-yl)-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 75517416
[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 92567817
[(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 100703517
(2-chloro-6-fluorophenyl)-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 84597542
[3-(4-nitrophenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 99825931
1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92608092
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53017418
(2-methyl-1-phenylbenzimidazol-5-yl)-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 75401111
(3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 46994041
1-[4-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 75489364

Frequently Asked Questions

What is the IUPAC name of (3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of (3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 75517412) is (3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for (3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for (3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is O=C(c1n[nH]c2c1CCCC2)N1CCc2ncc([N+](=O)[O-])cc2C1.
What is the InChIKey of (3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is SPKBGNSCIRIWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c22-16(15-12-3-1-2-4-14(12)18-19-15)20-6-5-13-10(9-20)7-11(8-17-13)21(23)24/h7-8H,1-6,9H2,(H,18,19).
What are the key properties of (3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 327.34 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 75517412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).