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

C21H24FN5O — CID 130214539

IUPAC1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-3-carbonitrile
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CN1CCC(C#N)C1)C2
InChIInChI=1S/C21H24FN5O/c1-15-19-7-9-26(21(28)14-25-8-6-17(10-23)11-25)13-20(19)27(24-15)12-16-2-4-18(22)5-3-16/h2-5,17H,6-9,11-14H2,1H3
InChIKeyXIGFTYFWYVYISB-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.11
Rot. Bonds4

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

1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-3-carbonitrile (PubChem CID 130214539) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-3-carbonitrile
PubChem CID130214539
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-3-carbonitrile
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CN1CCC(C#N)C1)C2
InChIInChI=1S/C21H24FN5O/c1-15-19-7-9-26(21(28)14-25-8-6-17(10-23)11-25)13-20(19)27(24-15)12-16-2-4-18(22)5-3-16/h2-5,17H,6-9,11-14H2,1H3
InChIKeyXIGFTYFWYVYISB-UHFFFAOYSA-N
XLogP2.11
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-3-carbonitrile?
The IUPAC name of 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-3-carbonitrile (CID 130214539) is 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-3-carbonitrile is Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CN1CCC(C#N)C1)C2.
What is the InChIKey of 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-3-carbonitrile?
The InChIKey is XIGFTYFWYVYISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-15-19-7-9-26(21(28)14-25-8-6-17(10-23)11-25)13-20(19)27(24-15)12-16-2-4-18(22)5-3-16/h2-5,17H,6-9,11-14H2,1H3.
What are the key properties of 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-3-carbonitrile?
1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-3-carbonitrile has a molecular weight of 381.46 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 130214539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).