5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol

C29H26FN7O — CID 137103019

IUPAC5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
SMILESCN(C)CCNc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(O)c6)cc45)cc23)c1
InChIInChI=1S/C29H26FN7O/c1-37(2)7-6-32-20-9-17(8-19(30)11-20)22-4-3-5-25-23(22)12-27(34-25)29-24-13-26(33-16-28(24)35-36-29)18-10-21(38)15-31-14-18/h3-5,8-16,32,34,38H,6-7H2,1-2H3,(H,35,36)
InChIKeyOUHTZPRTFJVBLJ-UHFFFAOYSA-N
MW507.57 g/mol
LogP5.65
Rot. Bonds7

About 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol

5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol (PubChem CID 137103019) has the molecular formula C29H26FN7O and a molecular weight of 507.57 g/mol. Its IUPAC name is 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
PubChem CID137103019
Molecular FormulaC29H26FN7O
Molecular Weight507.57 g/mol
Exact Mass507.22
IUPAC Name5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
SMILESCN(C)CCNc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(O)c6)cc45)cc23)c1
InChIInChI=1S/C29H26FN7O/c1-37(2)7-6-32-20-9-17(8-19(30)11-20)22-4-3-5-25-23(22)12-27(34-25)29-24-13-26(33-16-28(24)35-36-29)18-10-21(38)15-31-14-18/h3-5,8-16,32,34,38H,6-7H2,1-2H3,(H,35,36)
InChIKeyOUHTZPRTFJVBLJ-UHFFFAOYSA-N
XLogP5.65
TPSA105.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.57
LogP ≤ 55.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol with MolForge

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Related Compounds

3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
4-fluoro-2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137637094
5-fluoro-2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137651391
3-{2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl}phenol
CID 16188061
4,5-difluoro-2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137640932
2-fluoro-6-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137652073
3-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137661196
US10435405, Example 196
CID 134327950
5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 136937840
5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137042454
5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137088467
5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137109972

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?
The IUPAC name of 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) is 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol is CN(C)CCNc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(O)c6)cc45)cc23)c1.
What is the InChIKey of 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?
The InChIKey is OUHTZPRTFJVBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN7O/c1-37(2)7-6-32-20-9-17(8-19(30)11-20)22-4-3-5-25-23(22)12-27(34-25)29-24-13-26(33-16-28(24)35-36-29)18-10-21(38)15-31-14-18/h3-5,8-16,32,34,38H,6-7H2,1-2H3,(H,35,36).
What are the key properties of 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?
5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol has a molecular weight of 507.57 g/mol, XLogP of 5.65, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol is sourced from PubChem (CID 137103019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).