ethane;1-(1-ethyl-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile

C23H33N5O — CID 176985503

IUPACethane;1-(1-ethyl-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile
SMILESCC.CC.CCn1nc(N2CCCc3cc(C#N)ccc32)c2c1CCN(C=O)C2
InChIInChI=1S/C19H21N5O.2C2H6/c1-2-24-18-7-9-22(13-25)12-16(18)19(21-24)23-8-3-4-15-10-14(11-20)5-6-17(15)23;2*1-2/h5-6,10,13H,2-4,7-9,12H2,1H3;2*1-2H3
InChIKeyQFNVSRHBDGKRFV-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.43
Rot. Bonds3

About ethane;1-(1-ethyl-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile

ethane;1-(1-ethyl-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile (PubChem CID 176985503) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is ethane;1-(1-ethyl-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile.

Molecular Properties

Compound Nameethane;1-(1-ethyl-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile
PubChem CID176985503
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Nameethane;1-(1-ethyl-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile
SMILESCC.CC.CCn1nc(N2CCCc3cc(C#N)ccc32)c2c1CCN(C=O)C2
InChIInChI=1S/C19H21N5O.2C2H6/c1-2-24-18-7-9-22(13-25)12-16(18)19(21-24)23-8-3-4-15-10-14(11-20)5-6-17(15)23;2*1-2/h5-6,10,13H,2-4,7-9,12H2,1H3;2*1-2H3
InChIKeyQFNVSRHBDGKRFV-UHFFFAOYSA-N
XLogP4.43
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde;ethane
CID 176983099
1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile;ethane
CID 176983943
3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde
CID 139398865
1-ethyl-3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazol-4-amine
CID 66011026
1-[1-ethyl-3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 176986088
4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorobenzonitrile
CID 43657235
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde
CID 139398831
1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 176984318
1-[5-ethenyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 121373490
1-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 176983459
6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile
CID 102545068
4-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63512094

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-ethyl-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile?
The IUPAC name of ethane;1-(1-ethyl-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile (CID 176985503) is ethane;1-(1-ethyl-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile.
What is the SMILES notation for ethane;1-(1-ethyl-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile?
The canonical SMILES for ethane;1-(1-ethyl-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile is CC.CC.CCn1nc(N2CCCc3cc(C#N)ccc32)c2c1CCN(C=O)C2.
What is the InChIKey of ethane;1-(1-ethyl-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile?
The InChIKey is QFNVSRHBDGKRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O.2C2H6/c1-2-24-18-7-9-22(13-25)12-16(18)19(21-24)23-8-3-4-15-10-14(11-20)5-6-17(15)23;2*1-2/h5-6,10,13H,2-4,7-9,12H2,1H3;2*1-2H3.
What are the key properties of ethane;1-(1-ethyl-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile?
ethane;1-(1-ethyl-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile has a molecular weight of 395.55 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-ethyl-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile is sourced from PubChem (CID 176985503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).