3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol

C32H31FN6O — CID 137033039

IUPAC3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol
SMILESCC1C=C(c2cc(O)cc(F)c2)c2cc(-c3n[nH]c4cnc(-c5cncc(CN6CCCCC6)c5)cc34)[nH]c2C1
InChIInChI=1S/C32H31FN6O/c1-19-7-25(21-10-23(33)12-24(40)11-21)26-13-30(36-29(26)8-19)32-27-14-28(35-17-31(27)37-38-32)22-9-20(15-34-16-22)18-39-5-3-2-4-6-39/h7,9-17,19,36,40H,2-6,8,18H2,1H3,(H,37,38)
InChIKeyLYFNFTMRNARCGC-UHFFFAOYSA-N
MW534.64 g/mol
LogP6.47
Rot. Bonds5

About 3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol

3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol (PubChem CID 137033039) has the molecular formula C32H31FN6O and a molecular weight of 534.64 g/mol. Its IUPAC name is 3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol
PubChem CID137033039
Molecular FormulaC32H31FN6O
Molecular Weight534.64 g/mol
Exact Mass534.25
IUPAC Name3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol
SMILESCC1C=C(c2cc(O)cc(F)c2)c2cc(-c3n[nH]c4cnc(-c5cncc(CN6CCCCC6)c5)cc34)[nH]c2C1
InChIInChI=1S/C32H31FN6O/c1-19-7-25(21-10-23(33)12-24(40)11-21)26-13-30(36-29(26)8-19)32-27-14-28(35-17-31(27)37-38-32)22-9-20(15-34-16-22)18-39-5-3-2-4-6-39/h7,9-17,19,36,40H,2-6,8,18H2,1H3,(H,37,38)
InChIKeyLYFNFTMRNARCGC-UHFFFAOYSA-N
XLogP6.47
TPSA93.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.64
LogP ≤ 56.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol with MolForge

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Related Compounds

10-Hydroxyusambarensine
CID 10433813
3-{2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl}phenol
CID 16188061
10'-Hydroxyusambarensine
CID 44566377
US10435405, Example 115
CID 134327709
5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 137103019
2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 137110865
US10435405, Example 48
CID 137276839
3-{2-[(1-phenyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl}phenol
CID 16192333
3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol
CID 155569518
3-(2-fluoro-5-methoxyphenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253637
6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine
CID 90095742
3-[2-[4-[1-(5-fluoro-2-pyridinyl)-1-(1H-pyrazol-5-yl)ethyl]piperazin-1-yl]ethyl]phenol
CID 121414995

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol (CID 137033039) is 3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol is CC1C=C(c2cc(O)cc(F)c2)c2cc(-c3n[nH]c4cnc(-c5cncc(CN6CCCCC6)c5)cc34)[nH]c2C1.
What is the InChIKey of 3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol?
The InChIKey is LYFNFTMRNARCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN6O/c1-19-7-25(21-10-23(33)12-24(40)11-21)26-13-30(36-29(26)8-19)32-27-14-28(35-17-31(27)37-38-32)22-9-20(15-34-16-22)18-39-5-3-2-4-6-39/h7,9-17,19,36,40H,2-6,8,18H2,1H3,(H,37,38).
What are the key properties of 3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol?
3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol has a molecular weight of 534.64 g/mol, XLogP of 6.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[6-methyl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-6,7-dihydro-1H-indol-4-yl]phenol is sourced from PubChem (CID 137033039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).