6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole

C15H11ClN4 — CID 137153210

IUPAC6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole
SMILESCn1nc(-c2cc3ncccc3[nH]2)c2ccc(Cl)cc21
InChIInChI=1S/C15H11ClN4/c1-20-14-7-9(16)4-5-10(14)15(19-20)13-8-12-11(18-13)3-2-6-17-12/h2-8,18H,1H3
InChIKeyXQDXQYLEKJDTKI-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.77
Rot. Bonds1

About 6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole

6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole (PubChem CID 137153210) has the molecular formula C15H11ClN4 and a molecular weight of 282.73 g/mol. Its IUPAC name is 6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole.

Molecular Properties

Compound Name6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole
PubChem CID137153210
Molecular FormulaC15H11ClN4
Molecular Weight282.73 g/mol
Exact Mass282.07
IUPAC Name6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole
SMILESCn1nc(-c2cc3ncccc3[nH]2)c2ccc(Cl)cc21
InChIInChI=1S/C15H11ClN4/c1-20-14-7-9(16)4-5-10(14)15(19-20)13-8-12-11(18-13)3-2-6-17-12/h2-8,18H,1H3
InChIKeyXQDXQYLEKJDTKI-UHFFFAOYSA-N
XLogP3.77
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole?
The IUPAC name of 6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole (CID 137153210) is 6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole.
What is the SMILES notation for 6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole?
The canonical SMILES for 6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole is Cn1nc(-c2cc3ncccc3[nH]2)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole?
The InChIKey is XQDXQYLEKJDTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4/c1-20-14-7-9(16)4-5-10(14)15(19-20)13-8-12-11(18-13)3-2-6-17-12/h2-8,18H,1H3.
What are the key properties of 6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole?
6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole has a molecular weight of 282.73 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole is sourced from PubChem (CID 137153210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).