1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C19H20F2N6O — CID 121373018

IUPAC1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C(F)F)c4)cc3)nn2C)C1
InChIInChI=1S/C19H20F2N6O/c1-12(28)26-8-7-17-16(11-26)18(24-25(17)2)23-15-5-3-13(4-6-15)14-9-22-27(10-14)19(20)21/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,23,24)
InChIKeyGTWOUFQTUIZHNO-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.33
Rot. Bonds4

About 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121373018) has the molecular formula C19H20F2N6O and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121373018
Molecular FormulaC19H20F2N6O
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C(F)F)c4)cc3)nn2C)C1
InChIInChI=1S/C19H20F2N6O/c1-12(28)26-8-7-17-16(11-26)18(24-25(17)2)23-15-5-3-13(4-6-15)14-9-22-27(10-14)19(20)21/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,23,24)
InChIKeyGTWOUFQTUIZHNO-UHFFFAOYSA-N
XLogP3.33
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121373018) is 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C(F)F)c4)cc3)nn2C)C1.
What is the InChIKey of 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is GTWOUFQTUIZHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O/c1-12(28)26-8-7-17-16(11-26)18(24-25(17)2)23-15-5-3-13(4-6-15)14-9-22-27(10-14)19(20)21/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,23,24).
What are the key properties of 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 386.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121373018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).