3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

C32H29FN6O2 — CID 137041067

IUPAC3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C32H29FN6O2/c1-40-24-12-20(11-23(33)15-24)26-5-4-6-29-27(26)16-30(36-29)31-28-14-22(18-35-32(28)38-37-31)21-13-25(19-34-17-21)41-10-9-39-7-2-3-8-39/h4-6,11-19,36H,2-3,7-10H2,1H3,(H,35,37,38)
InChIKeyZPSCIBNSVTUCPE-UHFFFAOYSA-N
MW548.62 g/mol
LogP6.46
Rot. Bonds8

About 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137041067) has the molecular formula C32H29FN6O2 and a molecular weight of 548.62 g/mol. Its IUPAC name is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID137041067
Molecular FormulaC32H29FN6O2
Molecular Weight548.62 g/mol
Exact Mass548.23
IUPAC Name3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C32H29FN6O2/c1-40-24-12-20(11-23(33)15-24)26-5-4-6-29-27(26)16-30(36-29)31-28-14-22(18-35-32(28)38-37-31)21-13-25(19-34-17-21)41-10-9-39-7-2-3-8-39/h4-6,11-19,36H,2-3,7-10H2,1H3,(H,35,37,38)
InChIKeyZPSCIBNSVTUCPE-UHFFFAOYSA-N
XLogP6.46
TPSA91.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.62
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 137041067) is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is COc1cc(F)cc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)c1.
What is the InChIKey of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is ZPSCIBNSVTUCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN6O2/c1-40-24-12-20(11-23(33)15-24)26-5-4-6-29-27(26)16-30(36-29)31-28-14-22(18-35-32(28)38-37-31)21-13-25(19-34-17-21)41-10-9-39-7-2-3-8-39/h4-6,11-19,36H,2-3,7-10H2,1H3,(H,35,37,38).
What are the key properties of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 548.62 g/mol, XLogP of 6.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137041067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).