1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol

C26H26F2N4O — CID 158943505

IUPAC1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol
SMILESCCCc1cc(F)c(-c2cc3c(-c4ccc(N5CCC(O)CC5)cc4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C26H26F2N4O/c1-2-3-16-12-21(27)25(22(28)13-16)23-14-20-24(15-29-23)30-31-26(20)17-4-6-18(7-5-17)32-10-8-19(33)9-11-32/h4-7,12-15,19,33H,2-3,8-11H2,1H3,(H,30,31)
InChIKeyJKNUMZNSKKUSRA-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.48
Rot. Bonds5

About 1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol

1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol (PubChem CID 158943505) has the molecular formula C26H26F2N4O and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol
PubChem CID158943505
Molecular FormulaC26H26F2N4O
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol
SMILESCCCc1cc(F)c(-c2cc3c(-c4ccc(N5CCC(O)CC5)cc4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C26H26F2N4O/c1-2-3-16-12-21(27)25(22(28)13-16)23-14-20-24(15-29-23)30-31-26(20)17-4-6-18(7-5-17)32-10-8-19(33)9-11-32/h4-7,12-15,19,33H,2-3,8-11H2,1H3,(H,30,31)
InChIKeyJKNUMZNSKKUSRA-UHFFFAOYSA-N
XLogP5.48
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine
CID 157132062
6,8-difluoro-N-methyl-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 134328012
5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
CID 134327883
5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 147473475
1-[3,5-difluoro-4-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine
CID 134327802
N-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide
CID 153167112
3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylpropan-1-amine
CID 149353664
2-[5-[2,6-difluoro-4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 175820211
azane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
CID 175348002
4-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]morpholine
CID 175820266
4-[5-(5-ethyl-1,3-difluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide
CID 149282739
1-[3-fluoro-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 134327890

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol (CID 158943505) is 1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol is CCCc1cc(F)c(-c2cc3c(-c4ccc(N5CCC(O)CC5)cc4)n[nH]c3cn2)c(F)c1.
What is the InChIKey of 1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol?
The InChIKey is JKNUMZNSKKUSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O/c1-2-3-16-12-21(27)25(22(28)13-16)23-14-20-24(15-29-23)30-31-26(20)17-4-6-18(7-5-17)32-10-8-19(33)9-11-32/h4-7,12-15,19,33H,2-3,8-11H2,1H3,(H,30,31).
What are the key properties of 1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol?
1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol has a molecular weight of 448.52 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol is sourced from PubChem (CID 158943505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).