6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole

C14H9ClN4 — CID 127048005

IUPAC6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole
SMILESClc1ccc2c3[nH]ncc3n(-c3cccnc3)c2c1
InChIInChI=1S/C14H9ClN4/c15-9-3-4-11-12(6-9)19(10-2-1-5-16-7-10)13-8-17-18-14(11)13/h1-8H,(H,17,18)
InChIKeyLMOBUEBHMONFLE-UHFFFAOYSA-N
MW268.71 g/mol
LogP3.56
Rot. Bonds1

About 6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole

6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole (PubChem CID 127048005) has the molecular formula C14H9ClN4 and a molecular weight of 268.71 g/mol. Its IUPAC name is 6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole.

Molecular Properties

Compound Name6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole
PubChem CID127048005
Molecular FormulaC14H9ClN4
Molecular Weight268.71 g/mol
Exact Mass268.05
IUPAC Name6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole
SMILESClc1ccc2c3[nH]ncc3n(-c3cccnc3)c2c1
InChIInChI=1S/C14H9ClN4/c15-9-3-4-11-12(6-9)19(10-2-1-5-16-7-10)13-8-17-18-14(11)13/h1-8H,(H,17,18)
InChIKeyLMOBUEBHMONFLE-UHFFFAOYSA-N
XLogP3.56
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6-dichloro-3-pyridinyl)-1-(1H-indazol-5-yl)methanimine
CID 77844771
7-chloro-N-[3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-2,5-dimethylpyrrol-1-yl]quinolin-4-amine
CID 16718994
7-chloro-N-[2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine
CID 16718996
7-chloro-4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 21992575
5-(1-(2-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166059
5-(1-(3-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166250
5-(1-(4-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166251
7-Chloro-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinoline
CID 44346052
N-(2-(5-chloro-2-fluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54670128
N-(2-(5-chloro-2-fluorophenyl)pyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671064
5-(1-methylpyrazol-4-yl)-3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 71253921
7-Fluoro-4-(pyridin-3-yl)-1,4-dihydropyrazolo[4,3-b]indole
CID 73426249

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole?
The IUPAC name of 6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole (CID 127048005) is 6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole.
What is the SMILES notation for 6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole?
The canonical SMILES for 6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole is Clc1ccc2c3[nH]ncc3n(-c3cccnc3)c2c1.
What is the InChIKey of 6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole?
The InChIKey is LMOBUEBHMONFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4/c15-9-3-4-11-12(6-9)19(10-2-1-5-16-7-10)13-8-17-18-14(11)13/h1-8H,(H,17,18).
What are the key properties of 6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole?
6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole has a molecular weight of 268.71 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole is sourced from PubChem (CID 127048005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).