6-chloro-3-[3-(ethylsulfonylmethyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-c]pyridine

C13H17ClN4O2S — CID 175991248

IUPAC6-chloro-3-[3-(ethylsulfonylmethyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-c]pyridine
SMILESCCS(=O)(=O)CC1CCN(c2n[nH]c3cc(Cl)ncc23)C1
InChIInChI=1S/C13H17ClN4O2S/c1-2-21(19,20)8-9-3-4-18(7-9)13-10-6-15-12(14)5-11(10)16-17-13/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyNIMPBNODHKVKGW-UHFFFAOYSA-N
MW328.83 g/mol
LogP1.87
Rot. Bonds4

About 6-chloro-3-[3-(ethylsulfonylmethyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-c]pyridine

6-chloro-3-[3-(ethylsulfonylmethyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-c]pyridine (PubChem CID 175991248) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.83 g/mol. Its IUPAC name is 6-chloro-3-[3-(ethylsulfonylmethyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-[3-(ethylsulfonylmethyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-c]pyridine
PubChem CID175991248
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.83 g/mol
Exact Mass328.08
IUPAC Name6-chloro-3-[3-(ethylsulfonylmethyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-c]pyridine
SMILESCCS(=O)(=O)CC1CCN(c2n[nH]c3cc(Cl)ncc23)C1
InChIInChI=1S/C13H17ClN4O2S/c1-2-21(19,20)8-9-3-4-18(7-9)13-10-6-15-12(14)5-11(10)16-17-13/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyNIMPBNODHKVKGW-UHFFFAOYSA-N
XLogP1.87
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine
CID 170577438
[1-[[6-chloro-3-[(3S)-3-(ethylsulfonylmethyl)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-1-yl]methyl]cyclopentyl]methanol
CID 170742046
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol
CID 170577005
1-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-ol
CID 170577660
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-N,5-dimethylpyrrolidin-3-amine
CID 170576993
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 175955965
6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane
CID 170577040
[1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine
CID 83821652
6-(3-ethylpyrrolidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 113417729
2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid
CID 82622618
6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 76847146
4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
CID 115689812

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-(ethylsulfonylmethyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-3-[3-(ethylsulfonylmethyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-c]pyridine (CID 175991248) is 6-chloro-3-[3-(ethylsulfonylmethyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-3-[3-(ethylsulfonylmethyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-3-[3-(ethylsulfonylmethyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-c]pyridine is CCS(=O)(=O)CC1CCN(c2n[nH]c3cc(Cl)ncc23)C1.
What is the InChIKey of 6-chloro-3-[3-(ethylsulfonylmethyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is NIMPBNODHKVKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2S/c1-2-21(19,20)8-9-3-4-18(7-9)13-10-6-15-12(14)5-11(10)16-17-13/h5-6,9H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 6-chloro-3-[3-(ethylsulfonylmethyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-c]pyridine?
6-chloro-3-[3-(ethylsulfonylmethyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 328.83 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-(ethylsulfonylmethyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 175991248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).