4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine

C17H15ClN4 — CID 118482106

IUPAC4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine
SMILESCc1cc2cc(Cn3ncc4c(Cl)nccc43)ccc2n1C
InChIInChI=1S/C17H15ClN4/c1-11-7-13-8-12(3-4-15(13)21(11)2)10-22-16-5-6-19-17(18)14(16)9-20-22/h3-9H,10H2,1-2H3
InChIKeyZDIFTERCYSDVQW-UHFFFAOYSA-N
MW310.79 g/mol
LogP3.93
Rot. Bonds2

About 4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine

4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine (PubChem CID 118482106) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is 4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine
PubChem CID118482106
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC Name4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine
SMILESCc1cc2cc(Cn3ncc4c(Cl)nccc43)ccc2n1C
InChIInChI=1S/C17H15ClN4/c1-11-7-13-8-12(3-4-15(13)21(11)2)10-22-16-5-6-19-17(18)14(16)9-20-22/h3-9H,10H2,1-2H3
InChIKeyZDIFTERCYSDVQW-UHFFFAOYSA-N
XLogP3.93
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(aminomethyl)isoquinolin-1-amine;4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;(1,2-dimethylindol-5-yl)methanol;6-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
CID 159832787
2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-3-methanimidoylpyridin-4-amine
CID 144958003
5-chloro-1-[(4-chlorophenyl)methyl]indazole
CID 59148107
[1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol
CID 118963331
N-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine
CID 88890566
1-(1,2-dimethylindol-5-yl)propan-2-amine
CID 117204599
1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine
CID 146288251
2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine
CID 118508633
[4-[(4-methoxypyrazolo[4,5-c]pyridin-1-yl)methyl]phenoxy]boronic acid
CID 169006320
5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole
CID 46935408
N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 46982035
2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 62471489

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine?
The IUPAC name of 4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine (CID 118482106) is 4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine?
The canonical SMILES for 4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine is Cc1cc2cc(Cn3ncc4c(Cl)nccc43)ccc2n1C.
What is the InChIKey of 4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine?
The InChIKey is ZDIFTERCYSDVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4/c1-11-7-13-8-12(3-4-15(13)21(11)2)10-22-16-5-6-19-17(18)14(16)9-20-22/h3-9H,10H2,1-2H3.
What are the key properties of 4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine?
4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine has a molecular weight of 310.79 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 118482106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).