2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone

C24H31FN4O — CID 130214391

IUPAC2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCN3CCCC3C1)C2
InChIInChI=1S/C24H31FN4O/c1-17-22-9-12-28(24(30)14-19-8-11-27-10-2-3-21(27)13-19)16-23(22)29(26-17)15-18-4-6-20(25)7-5-18/h4-7,19,21H,2-3,8-16H2,1H3
InChIKeyXVFANVYSFROMID-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.53
Rot. Bonds4

About 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone

2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone (PubChem CID 130214391) has the molecular formula C24H31FN4O and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
PubChem CID130214391
Molecular FormulaC24H31FN4O
Molecular Weight410.54 g/mol
Exact Mass410.25
IUPAC Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCN3CCCC3C1)C2
InChIInChI=1S/C24H31FN4O/c1-17-22-9-12-28(24(30)14-19-8-11-27-10-2-3-21(27)13-19)16-23(22)29(26-17)15-18-4-6-20(25)7-5-18/h4-7,19,21H,2-3,8-16H2,1H3
InChIKeyXVFANVYSFROMID-UHFFFAOYSA-N
XLogP3.53
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpyrrolidin-3-yl)ethanone
CID 130214516
4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carbonitrile
CID 130214604
1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpyrrolidin-3-yl)ethanone;1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyrrolidin-3-ylethanone;hydrochloride
CID 159064360
1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-morpholin-2-ylethanone
CID 130214502
6-(2-cyclohexylacetyl)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 144973688
2-(4-ethoxycarbonylcyclohexyl)acetic acid;ethyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate;1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride
CID 157227139
2-ethyl-4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylic acid
CID 118561529
tert-butyl 1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;ethane
CID 144973678
tert-butyl 1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
CID 130214335
1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpyrrolidin-3-yl)ethanone
CID 118561378
4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-2-propylpiperidine-1-carboxylic acid
CID 130203041
4-[2-[3-cyano-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 118561314

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?
The IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone (CID 130214391) is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone.
What is the SMILES notation for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?
The canonical SMILES for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone is Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCN3CCCC3C1)C2.
What is the InChIKey of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?
The InChIKey is XVFANVYSFROMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O/c1-17-22-9-12-28(24(30)14-19-8-11-27-10-2-3-21(27)13-19)16-23(22)29(26-17)15-18-4-6-20(25)7-5-18/h4-7,19,21H,2-3,8-16H2,1H3.
What are the key properties of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone has a molecular weight of 410.54 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone is sourced from PubChem (CID 130214391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).