1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid

C13H14ClF3N4O3 — CID 170351677

IUPAC1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid
SMILESCC1CC(O)CN1c1n[nH]c2cc(Cl)ncc12.O=C(O)C(F)(F)F
InChIInChI=1S/C11H13ClN4O.C2HF3O2/c1-6-2-7(17)5-16(6)11-8-4-13-10(12)3-9(8)14-15-11;3-2(4,5)1(6)7/h3-4,6-7,17H,2,5H2,1H3,(H,14,15);(H,6,7)
InChIKeyDPUNRVQRRFNHRM-UHFFFAOYSA-N
MW366.73 g/mol
LogP2.20
Rot. Bonds1

About 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid

1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid (PubChem CID 170351677) has the molecular formula C13H14ClF3N4O3 and a molecular weight of 366.73 g/mol. Its IUPAC name is 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid
PubChem CID170351677
Molecular FormulaC13H14ClF3N4O3
Molecular Weight366.73 g/mol
Exact Mass366.07
IUPAC Name1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid
SMILESCC1CC(O)CN1c1n[nH]c2cc(Cl)ncc12.O=C(O)C(F)(F)F
InChIInChI=1S/C11H13ClN4O.C2HF3O2/c1-6-2-7(17)5-16(6)11-8-4-13-10(12)3-9(8)14-15-11;3-2(4,5)1(6)7/h3-4,6-7,17H,2,5H2,1H3,(H,14,15);(H,6,7)
InChIKeyDPUNRVQRRFNHRM-UHFFFAOYSA-N
XLogP2.20
TPSA102.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.73
LogP ≤ 52.20
H-Bond Donors ≤ 53
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-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-ol
CID 117802129
(R)-1-(6-Chloro-1-((S*)-1,1,1-trifluoropropan-2-yl)-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-ol
CID 122509895
1-[6-Chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-ol
CID 122509896
[6-Chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate
CID 170351591
6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 170351595
6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine
CID 170351596
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylpyrrolidine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 170351629
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 170351661
[1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 170351674
[6-Chloro-3-(4-methoxypiperidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate
CID 170351696
6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 170351698
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 170352217

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid (CID 170351677) is 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid is CC1CC(O)CN1c1n[nH]c2cc(Cl)ncc12.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid?
The InChIKey is DPUNRVQRRFNHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O.C2HF3O2/c1-6-2-7(17)5-16(6)11-8-4-13-10(12)3-9(8)14-15-11;3-2(4,5)1(6)7/h3-4,6-7,17H,2,5H2,1H3,(H,14,15);(H,6,7).
What are the key properties of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid?
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid has a molecular weight of 366.73 g/mol, XLogP of 2.20, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170351677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).