2-[6-chloro-1-(2-pyridin-2-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine

C20H15ClN6 — CID 141365088

IUPAC2-[6-chloro-1-(2-pyridin-2-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine
SMILESClc1ccc2c(-c3cnc4[nH]ccc4n3)nn(CCc3ccccn3)c2c1
InChIInChI=1S/C20H15ClN6/c21-13-4-5-15-18(11-13)27(10-7-14-3-1-2-8-22-14)26-19(15)17-12-24-20-16(25-17)6-9-23-20/h1-6,8-9,11-12H,7,10H2,(H,23,24)
InChIKeyDIAXTJMRRGAEKB-UHFFFAOYSA-N
MW374.84 g/mol
LogP4.27
Rot. Bonds4

About 2-[6-chloro-1-(2-pyridin-2-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine

2-[6-chloro-1-(2-pyridin-2-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 141365088) has the molecular formula C20H15ClN6 and a molecular weight of 374.84 g/mol. Its IUPAC name is 2-[6-chloro-1-(2-pyridin-2-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[6-chloro-1-(2-pyridin-2-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID141365088
Molecular FormulaC20H15ClN6
Molecular Weight374.84 g/mol
Exact Mass374.10
IUPAC Name2-[6-chloro-1-(2-pyridin-2-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine
SMILESClc1ccc2c(-c3cnc4[nH]ccc4n3)nn(CCc3ccccn3)c2c1
InChIInChI=1S/C20H15ClN6/c21-13-4-5-15-18(11-13)27(10-7-14-3-1-2-8-22-14)26-19(15)17-12-24-20-16(25-17)6-9-23-20/h1-6,8-9,11-12H,7,10H2,(H,23,24)
InChIKeyDIAXTJMRRGAEKB-UHFFFAOYSA-N
XLogP4.27
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-(2-pyridin-2-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[6-chloro-1-(2-pyridin-2-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine (CID 141365088) is 2-[6-chloro-1-(2-pyridin-2-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[6-chloro-1-(2-pyridin-2-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[6-chloro-1-(2-pyridin-2-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine is Clc1ccc2c(-c3cnc4[nH]ccc4n3)nn(CCc3ccccn3)c2c1.
What is the InChIKey of 2-[6-chloro-1-(2-pyridin-2-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is DIAXTJMRRGAEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6/c21-13-4-5-15-18(11-13)27(10-7-14-3-1-2-8-22-14)26-19(15)17-12-24-20-16(25-17)6-9-23-20/h1-6,8-9,11-12H,7,10H2,(H,23,24).
What are the key properties of 2-[6-chloro-1-(2-pyridin-2-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine?
2-[6-chloro-1-(2-pyridin-2-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 374.84 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-(2-pyridin-2-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 141365088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).