3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone

C13H13N3O — CID 115970007

IUPAC3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone
SMILESO=C(c1ccc2cn[nH]c2c1)N1CC=CCC1
InChIInChI=1S/C13H13N3O/c17-13(16-6-2-1-3-7-16)10-4-5-11-9-14-15-12(11)8-10/h1-2,4-5,8-9H,3,6-7H2,(H,14,15)
InChIKeyXSBUABANEGZZEG-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.97
Rot. Bonds1

About 3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone

3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone (PubChem CID 115970007) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone
PubChem CID115970007
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone
SMILESO=C(c1ccc2cn[nH]c2c1)N1CC=CCC1
InChIInChI=1S/C13H13N3O/c17-13(16-6-2-1-3-7-16)10-4-5-11-9-14-15-12(11)8-10/h1-2,4-5,8-9H,3,6-7H2,(H,14,15)
InChIKeyXSBUABANEGZZEG-UHFFFAOYSA-N
XLogP1.97
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
CID 79038789
1H-indazol-6-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114490507
1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114539393
1-(1H-indazole-6-carbonyl)piperidine-4-carboxamide
CID 60715180
2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid
CID 64604399
(6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 115969934
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
CID 103357503
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 62906319
[4-(1-hydroxyethyl)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 106837074
methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate
CID 43410335
3-(3,6-dihydro-2H-pyridine-1-carbonyl)benzoic acid
CID 114412273
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 82015840

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone (CID 115970007) is 3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone is O=C(c1ccc2cn[nH]c2c1)N1CC=CCC1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone?
The InChIKey is XSBUABANEGZZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c17-13(16-6-2-1-3-7-16)10-4-5-11-9-14-15-12(11)8-10/h1-2,4-5,8-9H,3,6-7H2,(H,14,15).
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone?
3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone has a molecular weight of 227.27 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone is sourced from PubChem (CID 115970007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).