1-[2-[[3-fluoro-5-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one

C22H18F4N4O — CID 156735588

IUPAC1-[2-[[3-fluoro-5-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESO=C1NCCc2c1cnn2-c1ccnc(Cc2cc(F)cc(C3(C(F)(F)F)CC3)c2)c1
InChIInChI=1S/C22H18F4N4O/c23-15-8-13(7-14(10-15)21(3-4-21)22(24,25)26)9-16-11-17(1-5-27-16)30-19-2-6-28-20(31)18(19)12-29-30/h1,5,7-8,10-12H,2-4,6,9H2,(H,28,31)
InChIKeyGGAHWOLAXTUZPM-UHFFFAOYSA-N
MW430.41 g/mol
LogP3.88
Rot. Bonds4

About 1-[2-[[3-fluoro-5-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one

1-[2-[[3-fluoro-5-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one (PubChem CID 156735588) has the molecular formula C22H18F4N4O and a molecular weight of 430.41 g/mol. Its IUPAC name is 1-[2-[[3-fluoro-5-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-[2-[[3-fluoro-5-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
PubChem CID156735588
Molecular FormulaC22H18F4N4O
Molecular Weight430.41 g/mol
Exact Mass430.14
IUPAC Name1-[2-[[3-fluoro-5-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESO=C1NCCc2c1cnn2-c1ccnc(Cc2cc(F)cc(C3(C(F)(F)F)CC3)c2)c1
InChIInChI=1S/C22H18F4N4O/c23-15-8-13(7-14(10-15)21(3-4-21)22(24,25)26)9-16-11-17(1-5-27-16)30-19-2-6-28-20(31)18(19)12-29-30/h1,5,7-8,10-12H,2-4,6,9H2,(H,28,31)
InChIKeyGGAHWOLAXTUZPM-UHFFFAOYSA-N
XLogP3.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-fluoro-5-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 1-[2-[[3-fluoro-5-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one (CID 156735588) is 1-[2-[[3-fluoro-5-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-[2-[[3-fluoro-5-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-[2-[[3-fluoro-5-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one is O=C1NCCc2c1cnn2-c1ccnc(Cc2cc(F)cc(C3(C(F)(F)F)CC3)c2)c1.
What is the InChIKey of 1-[2-[[3-fluoro-5-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is GGAHWOLAXTUZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N4O/c23-15-8-13(7-14(10-15)21(3-4-21)22(24,25)26)9-16-11-17(1-5-27-16)30-19-2-6-28-20(31)18(19)12-29-30/h1,5,7-8,10-12H,2-4,6,9H2,(H,28,31).
What are the key properties of 1-[2-[[3-fluoro-5-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
1-[2-[[3-fluoro-5-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 430.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-fluoro-5-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 156735588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).