1-[2-[[3-(difluoromethoxy)-5-fluorophenyl]methyl]-4-pyridinyl]-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one

C20H17F3N4O2 — CID 156735504

IUPAC1-[2-[[3-(difluoromethoxy)-5-fluorophenyl]methyl]-4-pyridinyl]-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESCc1nn(-c2ccnc(Cc3cc(F)cc(OC(F)F)c3)c2)c2c1C(=O)NCC2
InChIInChI=1S/C20H17F3N4O2/c1-11-18-17(3-5-25-19(18)28)27(26-11)15-2-4-24-14(10-15)7-12-6-13(21)9-16(8-12)29-20(22)23/h2,4,6,8-10,20H,3,5,7H2,1H3,(H,25,28)
InChIKeyMVAUGYGNLFBWQC-UHFFFAOYSA-N
MW402.38 g/mol
LogP3.19
Rot. Bonds5

About 1-[2-[[3-(difluoromethoxy)-5-fluorophenyl]methyl]-4-pyridinyl]-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one

1-[2-[[3-(difluoromethoxy)-5-fluorophenyl]methyl]-4-pyridinyl]-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one (PubChem CID 156735504) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is 1-[2-[[3-(difluoromethoxy)-5-fluorophenyl]methyl]-4-pyridinyl]-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-[2-[[3-(difluoromethoxy)-5-fluorophenyl]methyl]-4-pyridinyl]-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
PubChem CID156735504
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Name1-[2-[[3-(difluoromethoxy)-5-fluorophenyl]methyl]-4-pyridinyl]-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESCc1nn(-c2ccnc(Cc3cc(F)cc(OC(F)F)c3)c2)c2c1C(=O)NCC2
InChIInChI=1S/C20H17F3N4O2/c1-11-18-17(3-5-25-19(18)28)27(26-11)15-2-4-24-14(10-15)7-12-6-13(21)9-16(8-12)29-20(22)23/h2,4,6,8-10,20H,3,5,7H2,1H3,(H,25,28)
InChIKeyMVAUGYGNLFBWQC-UHFFFAOYSA-N
XLogP3.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(difluoromethoxy)-5-fluorophenyl]methyl]-4-pyridinyl]-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 1-[2-[[3-(difluoromethoxy)-5-fluorophenyl]methyl]-4-pyridinyl]-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one (CID 156735504) is 1-[2-[[3-(difluoromethoxy)-5-fluorophenyl]methyl]-4-pyridinyl]-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-[2-[[3-(difluoromethoxy)-5-fluorophenyl]methyl]-4-pyridinyl]-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-[2-[[3-(difluoromethoxy)-5-fluorophenyl]methyl]-4-pyridinyl]-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one is Cc1nn(-c2ccnc(Cc3cc(F)cc(OC(F)F)c3)c2)c2c1C(=O)NCC2.
What is the InChIKey of 1-[2-[[3-(difluoromethoxy)-5-fluorophenyl]methyl]-4-pyridinyl]-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is MVAUGYGNLFBWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c1-11-18-17(3-5-25-19(18)28)27(26-11)15-2-4-24-14(10-15)7-12-6-13(21)9-16(8-12)29-20(22)23/h2,4,6,8-10,20H,3,5,7H2,1H3,(H,25,28).
What are the key properties of 1-[2-[[3-(difluoromethoxy)-5-fluorophenyl]methyl]-4-pyridinyl]-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
1-[2-[[3-(difluoromethoxy)-5-fluorophenyl]methyl]-4-pyridinyl]-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 402.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(difluoromethoxy)-5-fluorophenyl]methyl]-4-pyridinyl]-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 156735504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).