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

C11H11ClF2N4O — CID 170351596

IUPAC6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine
SMILESCOC1CN(c2n[nH]c3cc(Cl)ncc23)CC1(F)F
InChIInChI=1S/C11H11ClF2N4O/c1-19-8-4-18(5-11(8,13)14)10-6-3-15-9(12)2-7(6)16-17-10/h2-3,8H,4-5H2,1H3,(H,16,17)
InChIKeySEQWIOSLPYRCKB-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.08
Rot. Bonds2

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

6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 170351596) has the molecular formula C11H11ClF2N4O and a molecular weight of 288.69 g/mol. Its IUPAC name is 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine
PubChem CID170351596
Molecular FormulaC11H11ClF2N4O
Molecular Weight288.69 g/mol
Exact Mass288.06
IUPAC Name6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine
SMILESCOC1CN(c2n[nH]c3cc(Cl)ncc23)CC1(F)F
InChIInChI=1S/C11H11ClF2N4O/c1-19-8-4-18(5-11(8,13)14)10-6-3-15-9(12)2-7(6)16-17-10/h2-3,8H,4-5H2,1H3,(H,16,17)
InChIKeySEQWIOSLPYRCKB-UHFFFAOYSA-N
XLogP2.08
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[6-Chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 117775606
(3R)-1-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-ol
CID 117802129
6-chloro-3-[4-[(Z,2E)-2-ethylidenepent-3-enoxy]-3,3-difluoropyrrolidin-1-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridine
CID 117802333
(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-[4-(2-ethylidenepent-3-enoxy)-3,3-difluoropyrrolidin-1-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridine
CID 123199640
4-[6-Chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine
CID 123664140
6-chloro-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-amine
CID 144598755
[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
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine (CID 170351596) is 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine is COC1CN(c2n[nH]c3cc(Cl)ncc23)CC1(F)F.
What is the InChIKey of 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is SEQWIOSLPYRCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N4O/c1-19-8-4-18(5-11(8,13)14)10-6-3-15-9(12)2-7(6)16-17-10/h2-3,8H,4-5H2,1H3,(H,16,17).
What are the key properties of 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine?
6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 288.69 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 170351596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).