4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carbonitrile

C23H27FN4O — CID 130214604

IUPAC4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carbonitrile
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(C#N)CC1)C2
InChIInChI=1S/C23H27FN4O/c1-16-21-10-11-27(23(29)12-17-2-4-18(13-25)5-3-17)15-22(21)28(26-16)14-19-6-8-20(24)9-7-19/h6-9,17-18H,2-5,10-12,14-15H2,1H3
InChIKeyUCAOQMKNUYWLJA-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.98
Rot. Bonds4

About 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carbonitrile

4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carbonitrile (PubChem CID 130214604) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carbonitrile
PubChem CID130214604
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carbonitrile
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(C#N)CC1)C2
InChIInChI=1S/C23H27FN4O/c1-16-21-10-11-27(23(29)12-17-2-4-18(13-25)5-3-17)15-22(21)28(26-16)14-19-6-8-20(24)9-7-19/h6-9,17-18H,2-5,10-12,14-15H2,1H3
InChIKeyUCAOQMKNUYWLJA-UHFFFAOYSA-N
XLogP3.98
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carbonitrile?
The IUPAC name of 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) is 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carbonitrile is Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(C#N)CC1)C2.
What is the InChIKey of 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carbonitrile?
The InChIKey is UCAOQMKNUYWLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-16-21-10-11-27(23(29)12-17-2-4-18(13-25)5-3-17)15-22(21)28(26-16)14-19-6-8-20(24)9-7-19/h6-9,17-18H,2-5,10-12,14-15H2,1H3.
What are the key properties of 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carbonitrile?
4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carbonitrile has a molecular weight of 394.49 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 130214604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).