5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole

C25H24N6O — CID 137111356

IUPAC5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole
SMILESc1cnc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OCCN6CCCC6)c5)cc34)cc2c1
InChIInChI=1S/C25H24N6O/c1-2-9-31(8-1)10-11-32-20-12-19(15-26-16-20)17-5-6-22-21(13-17)24(30-29-22)23-14-18-4-3-7-27-25(18)28-23/h3-7,12-16H,1-2,8-11H2,(H,27,28)(H,29,30)
InChIKeyYSKMZAUMSFOYGI-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.64
Rot. Bonds6

About 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole

5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole (PubChem CID 137111356) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole.

Molecular Properties

Compound Name5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole
PubChem CID137111356
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole
SMILESc1cnc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OCCN6CCCC6)c5)cc34)cc2c1
InChIInChI=1S/C25H24N6O/c1-2-9-31(8-1)10-11-32-20-12-19(15-26-16-20)17-5-6-22-21(13-17)24(30-29-22)23-14-18-4-3-7-27-25(18)28-23/h3-7,12-16H,1-2,8-11H2,(H,27,28)(H,29,30)
InChIKeyYSKMZAUMSFOYGI-UHFFFAOYSA-N
XLogP4.64
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole?
The IUPAC name of 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole (CID 137111356) is 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole.
What is the SMILES notation for 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole?
The canonical SMILES for 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole is c1cnc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OCCN6CCCC6)c5)cc34)cc2c1.
What is the InChIKey of 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole?
The InChIKey is YSKMZAUMSFOYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-2-9-31(8-1)10-11-32-20-12-19(15-26-16-20)17-5-6-22-21(13-17)24(30-29-22)23-14-18-4-3-7-27-25(18)28-23/h3-7,12-16H,1-2,8-11H2,(H,27,28)(H,29,30).
What are the key properties of 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole?
5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole has a molecular weight of 424.51 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole is sourced from PubChem (CID 137111356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).