3-[1-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-4-yl]-5-hydroxy-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C20H22F5N5O2 — CID 136962935

IUPAC3-[1-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-4-yl]-5-hydroxy-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C1Nc2n[nH]c(C3CCN(c4ccc(CCC(F)F)cn4)CC3)c2C(C(F)(F)F)C1O
InChIInChI=1S/C20H22F5N5O2/c21-12(22)3-1-10-2-4-13(26-9-10)30-7-5-11(6-8-30)16-14-15(20(23,24)25)17(31)19(32)27-18(14)29-28-16/h2,4,9,11-12,15,17,31H,1,3,5-8H2,(H2,27,28,29,32)
InChIKeySEYAZHWVQYOWDP-UHFFFAOYSA-N
MW459.42 g/mol
LogP3.35
Rot. Bonds5

About 3-[1-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-4-yl]-5-hydroxy-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

3-[1-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-4-yl]-5-hydroxy-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 136962935) has the molecular formula C20H22F5N5O2 and a molecular weight of 459.42 g/mol. Its IUPAC name is 3-[1-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-4-yl]-5-hydroxy-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-[1-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-4-yl]-5-hydroxy-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID136962935
Molecular FormulaC20H22F5N5O2
Molecular Weight459.42 g/mol
Exact Mass459.17
IUPAC Name3-[1-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-4-yl]-5-hydroxy-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C1Nc2n[nH]c(C3CCN(c4ccc(CCC(F)F)cn4)CC3)c2C(C(F)(F)F)C1O
InChIInChI=1S/C20H22F5N5O2/c21-12(22)3-1-10-2-4-13(26-9-10)30-7-5-11(6-8-30)16-14-15(20(23,24)25)17(31)19(32)27-18(14)29-28-16/h2,4,9,11-12,15,17,31H,1,3,5-8H2,(H2,27,28,29,32)
InChIKeySEYAZHWVQYOWDP-UHFFFAOYSA-N
XLogP3.35
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[1-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-4-yl]-5-hydroxy-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-4-yl]-5-hydroxy-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-[1-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-4-yl]-5-hydroxy-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 136962935) is 3-[1-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-4-yl]-5-hydroxy-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-[1-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-4-yl]-5-hydroxy-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-[1-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-4-yl]-5-hydroxy-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is O=C1Nc2n[nH]c(C3CCN(c4ccc(CCC(F)F)cn4)CC3)c2C(C(F)(F)F)C1O.
What is the InChIKey of 3-[1-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-4-yl]-5-hydroxy-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is SEYAZHWVQYOWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F5N5O2/c21-12(22)3-1-10-2-4-13(26-9-10)30-7-5-11(6-8-30)16-14-15(20(23,24)25)17(31)19(32)27-18(14)29-28-16/h2,4,9,11-12,15,17,31H,1,3,5-8H2,(H2,27,28,29,32).
What are the key properties of 3-[1-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-4-yl]-5-hydroxy-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
3-[1-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-4-yl]-5-hydroxy-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 459.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-4-yl]-5-hydroxy-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 136962935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).