1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-N,5-dimethylpyrrolidin-3-amine

C12H16ClN5 — CID 170576993

IUPAC1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-N,5-dimethylpyrrolidin-3-amine
SMILESCNC1CC(C)N(c2n[nH]c3cc(Cl)ncc23)C1
InChIInChI=1S/C12H16ClN5/c1-7-3-8(14-2)6-18(7)12-9-5-15-11(13)4-10(9)16-17-12/h4-5,7-8,14H,3,6H2,1-2H3,(H,16,17)
InChIKeyPXBYFFVBFDWJON-UHFFFAOYSA-N
MW265.75 g/mol
LogP1.80
Rot. Bonds2

About 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-N,5-dimethylpyrrolidin-3-amine

1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-N,5-dimethylpyrrolidin-3-amine (PubChem CID 170576993) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-N,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-N,5-dimethylpyrrolidin-3-amine
PubChem CID170576993
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-N,5-dimethylpyrrolidin-3-amine
SMILESCNC1CC(C)N(c2n[nH]c3cc(Cl)ncc23)C1
InChIInChI=1S/C12H16ClN5/c1-7-3-8(14-2)6-18(7)12-9-5-15-11(13)4-10(9)16-17-12/h4-5,7-8,14H,3,6H2,1-2H3,(H,16,17)
InChIKeyPXBYFFVBFDWJON-UHFFFAOYSA-N
XLogP1.80
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol
CID 170577005
(3R)-1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine
CID 170577438
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 175955965
6-chloro-3-[3-(ethylsulfonylmethyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-c]pyridine
CID 175991248
6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane
CID 170577040
6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 76847146
1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine
CID 175554443
1-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-ol
CID 170577660
(2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol
CID 166547316
ethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate
CID 176899840
N-[3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170351772
(3R)-1-(2-chloro-4-pyridinyl)-N-methylpyrrolidin-3-amine
CID 86652499

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-N,5-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-N,5-dimethylpyrrolidin-3-amine (CID 170576993) is 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-N,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-N,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-N,5-dimethylpyrrolidin-3-amine is CNC1CC(C)N(c2n[nH]c3cc(Cl)ncc23)C1.
What is the InChIKey of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-N,5-dimethylpyrrolidin-3-amine?
The InChIKey is PXBYFFVBFDWJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-7-3-8(14-2)6-18(7)12-9-5-15-11(13)4-10(9)16-17-12/h4-5,7-8,14H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-N,5-dimethylpyrrolidin-3-amine?
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-N,5-dimethylpyrrolidin-3-amine has a molecular weight of 265.75 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-N,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 170576993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).