1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C24H25FN4O — CID 121373005

IUPAC1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4ccccc4F)cc3)nn2CC2CC2)C1
InChIInChI=1S/C24H25FN4O/c1-16(30)28-13-12-23-21(15-28)24(27-29(23)14-17-6-7-17)26-19-10-8-18(9-11-19)20-4-2-3-5-22(20)25/h2-5,8-11,17H,6-7,12-15H2,1H3,(H,26,27)
InChIKeyBEOJLSGMCYTQBA-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.75
Rot. Bonds5

About 1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121373005) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121373005
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4ccccc4F)cc3)nn2CC2CC2)C1
InChIInChI=1S/C24H25FN4O/c1-16(30)28-13-12-23-21(15-28)24(27-29(23)14-17-6-7-17)26-19-10-8-18(9-11-19)20-4-2-3-5-22(20)25/h2-5,8-11,17H,6-7,12-15H2,1H3,(H,26,27)
InChIKeyBEOJLSGMCYTQBA-UHFFFAOYSA-N
XLogP4.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121373005) is 1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4ccccc4F)cc3)nn2CC2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is BEOJLSGMCYTQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-16(30)28-13-12-23-21(15-28)24(27-29(23)14-17-6-7-17)26-19-10-8-18(9-11-19)20-4-2-3-5-22(20)25/h2-5,8-11,17H,6-7,12-15H2,1H3,(H,26,27).
What are the key properties of 1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 404.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121373005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).