3-chloro-2-[(2,6-difluorophenyl)methyl]-6-[(2R)-1,1-difluoropropan-2-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C16H14ClF4N3O — CID 166162201

IUPAC3-chloro-2-[(2,6-difluorophenyl)methyl]-6-[(2R)-1,1-difluoropropan-2-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESC[C@H](C(F)F)N1CCc2c(nn(Cc3c(F)cccc3F)c2Cl)C1=O
InChIInChI=1S/C16H14ClF4N3O/c1-8(15(20)21)23-6-5-9-13(16(23)25)22-24(14(9)17)7-10-11(18)3-2-4-12(10)19/h2-4,8,15H,5-7H2,1H3/t8-/m1/s1
InChIKeyOFHWJQPHJZBRBM-MRVPVSSYSA-N
MW375.75 g/mol
LogP3.51
Rot. Bonds4

About 3-chloro-2-[(2,6-difluorophenyl)methyl]-6-[(2R)-1,1-difluoropropan-2-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

3-chloro-2-[(2,6-difluorophenyl)methyl]-6-[(2R)-1,1-difluoropropan-2-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 166162201) has the molecular formula C16H14ClF4N3O and a molecular weight of 375.75 g/mol. Its IUPAC name is 3-chloro-2-[(2,6-difluorophenyl)methyl]-6-[(2R)-1,1-difluoropropan-2-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name3-chloro-2-[(2,6-difluorophenyl)methyl]-6-[(2R)-1,1-difluoropropan-2-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID166162201
Molecular FormulaC16H14ClF4N3O
Molecular Weight375.75 g/mol
Exact Mass375.08
IUPAC Name3-chloro-2-[(2,6-difluorophenyl)methyl]-6-[(2R)-1,1-difluoropropan-2-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESC[C@H](C(F)F)N1CCc2c(nn(Cc3c(F)cccc3F)c2Cl)C1=O
InChIInChI=1S/C16H14ClF4N3O/c1-8(15(20)21)23-6-5-9-13(16(23)25)22-24(14(9)17)7-10-11(18)3-2-4-12(10)19/h2-4,8,15H,5-7H2,1H3/t8-/m1/s1
InChIKeyOFHWJQPHJZBRBM-MRVPVSSYSA-N
XLogP3.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.75
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-[(2,6-difluorophenyl)methyl]-6-[(2R)-1,1-difluoropropan-2-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one with MolForge

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Related Compounds

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CID 156199314
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CID 10641149
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CID 57400054
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CID 25147602
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2,6-difluorophenyl)methyl]-6-[(2R)-1,1-difluoropropan-2-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 3-chloro-2-[(2,6-difluorophenyl)methyl]-6-[(2R)-1,1-difluoropropan-2-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 166162201) is 3-chloro-2-[(2,6-difluorophenyl)methyl]-6-[(2R)-1,1-difluoropropan-2-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 3-chloro-2-[(2,6-difluorophenyl)methyl]-6-[(2R)-1,1-difluoropropan-2-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 3-chloro-2-[(2,6-difluorophenyl)methyl]-6-[(2R)-1,1-difluoropropan-2-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is C[C@H](C(F)F)N1CCc2c(nn(Cc3c(F)cccc3F)c2Cl)C1=O.
What is the InChIKey of 3-chloro-2-[(2,6-difluorophenyl)methyl]-6-[(2R)-1,1-difluoropropan-2-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is OFHWJQPHJZBRBM-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H14ClF4N3O/c1-8(15(20)21)23-6-5-9-13(16(23)25)22-24(14(9)17)7-10-11(18)3-2-4-12(10)19/h2-4,8,15H,5-7H2,1H3/t8-/m1/s1.
What are the key properties of 3-chloro-2-[(2,6-difluorophenyl)methyl]-6-[(2R)-1,1-difluoropropan-2-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
3-chloro-2-[(2,6-difluorophenyl)methyl]-6-[(2R)-1,1-difluoropropan-2-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 375.75 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2,6-difluorophenyl)methyl]-6-[(2R)-1,1-difluoropropan-2-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 166162201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).