4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole

C27H26N6O — CID 137114557

IUPAC4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole
SMILESc1cc(-c2ccncc2)c2cc(-c3cc(-c4cncc(OCCN5CCCC5)c4)n[nH]3)[nH]c2c1
InChIInChI=1S/C27H26N6O/c1-2-11-33(10-1)12-13-34-21-14-20(17-29-18-21)25-16-27(32-31-25)26-15-23-22(4-3-5-24(23)30-26)19-6-8-28-9-7-19/h3-9,14-18,30H,1-2,10-13H2,(H,31,32)
InChIKeyGQLOZFGOWBXROW-UHFFFAOYSA-N
MW450.55 g/mol
LogP5.16
Rot. Bonds7

About 4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole

4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole (PubChem CID 137114557) has the molecular formula C27H26N6O and a molecular weight of 450.55 g/mol. Its IUPAC name is 4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole
PubChem CID137114557
Molecular FormulaC27H26N6O
Molecular Weight450.55 g/mol
Exact Mass450.22
IUPAC Name4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole
SMILESc1cc(-c2ccncc2)c2cc(-c3cc(-c4cncc(OCCN5CCCC5)c4)n[nH]3)[nH]c2c1
InChIInChI=1S/C27H26N6O/c1-2-11-33(10-1)12-13-34-21-14-20(17-29-18-21)25-16-27(32-31-25)26-15-23-22(4-3-5-24(23)30-26)19-6-8-28-9-7-19/h3-9,14-18,30H,1-2,10-13H2,(H,31,32)
InChIKeyGQLOZFGOWBXROW-UHFFFAOYSA-N
XLogP5.16
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.55
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137040058
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-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114366
4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine
CID 137040605
3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137087635
3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137113629
4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole
CID 137109029
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137280578
2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole
CID 137113693
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
2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137117043
4-pyridin-3-yl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-1H-indole
CID 137112879

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole?
The IUPAC name of 4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole (CID 137114557) is 4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole.
What is the SMILES notation for 4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole?
The canonical SMILES for 4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole is c1cc(-c2ccncc2)c2cc(-c3cc(-c4cncc(OCCN5CCCC5)c4)n[nH]3)[nH]c2c1.
What is the InChIKey of 4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole?
The InChIKey is GQLOZFGOWBXROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O/c1-2-11-33(10-1)12-13-34-21-14-20(17-29-18-21)25-16-27(32-31-25)26-15-23-22(4-3-5-24(23)30-26)19-6-8-28-9-7-19/h3-9,14-18,30H,1-2,10-13H2,(H,31,32).
What are the key properties of 4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole?
4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole has a molecular weight of 450.55 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole is sourced from PubChem (CID 137114557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).