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

C31H27FN6O — CID 137114366

IUPAC3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)nc45)cc23)c1
InChIInChI=1S/C31H27FN6O/c32-22-16-21(17-23(18-22)39-15-14-38-12-1-2-13-38)24-4-3-5-27-25(24)19-29(34-27)31-30-28(36-37-31)7-6-26(35-30)20-8-10-33-11-9-20/h3-11,16-19,34H,1-2,12-15H2,(H,36,37)
InChIKeyAGDCKFNXYXHUAG-UHFFFAOYSA-N
MW518.60 g/mol
LogP6.45
Rot. Bonds7

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

3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137114366) has the molecular formula C31H27FN6O and a molecular weight of 518.60 g/mol. Its IUPAC name is 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine
PubChem CID137114366
Molecular FormulaC31H27FN6O
Molecular Weight518.60 g/mol
Exact Mass518.22
IUPAC Name3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)nc45)cc23)c1
InChIInChI=1S/C31H27FN6O/c32-22-16-21(17-23(18-22)39-15-14-38-12-1-2-13-38)24-4-3-5-27-25(24)19-29(34-27)31-30-28(36-37-31)7-6-26(35-30)20-8-10-33-11-9-20/h3-11,16-19,34H,1-2,12-15H2,(H,36,37)
InChIKeyAGDCKFNXYXHUAG-UHFFFAOYSA-N
XLogP6.45
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.60
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114468
5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137114809
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137115183
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
CID 137103113
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
CID 137112521
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137112049
2-[[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 137364829
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137113928
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137280405
2-[3-fluoro-5-[2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137037981
4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole
CID 137114557
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
CID 137087811

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine (CID 137114366) is 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine is Fc1cc(OCCN2CCCC2)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)nc45)cc23)c1.
What is the InChIKey of 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is AGDCKFNXYXHUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN6O/c32-22-16-21(17-23(18-22)39-15-14-38-12-1-2-13-38)24-4-3-5-27-25(24)19-29(34-27)31-30-28(36-37-31)7-6-26(35-30)20-8-10-33-11-9-20/h3-11,16-19,34H,1-2,12-15H2,(H,36,37).
What are the key properties of 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine?
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 518.60 g/mol, XLogP of 6.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137114366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).