6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine

C16H19ClF2N4O2 — CID 170351683

IUPAC6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
SMILESCOC1CN(c2nn(C3CCCCO3)c3cc(Cl)ncc23)CC1(F)F
InChIInChI=1S/C16H19ClF2N4O2/c1-24-12-8-22(9-16(12,18)19)15-10-7-20-13(17)6-11(10)23(21-15)14-4-2-3-5-25-14/h6-7,12,14H,2-5,8-9H2,1H3
InChIKeyKZIRMYYQHPGWEQ-UHFFFAOYSA-N
MW372.80 g/mol
LogP3.25
Rot. Bonds3

About 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine

6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine (PubChem CID 170351683) has the molecular formula C16H19ClF2N4O2 and a molecular weight of 372.80 g/mol. Its IUPAC name is 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
PubChem CID170351683
Molecular FormulaC16H19ClF2N4O2
Molecular Weight372.80 g/mol
Exact Mass372.12
IUPAC Name6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
SMILESCOC1CN(c2nn(C3CCCCO3)c3cc(Cl)ncc23)CC1(F)F
InChIInChI=1S/C16H19ClF2N4O2/c1-24-12-8-22(9-16(12,18)19)15-10-7-20-13(17)6-11(10)23(21-15)14-4-2-3-5-25-14/h6-7,12,14H,2-5,8-9H2,1H3
InChIKeyKZIRMYYQHPGWEQ-UHFFFAOYSA-N
XLogP3.25
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.80
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[6-Chloro-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 87408771
3-(4-(Benzyloxy)-3,3-difluoropyrrolidin-1-yl)-6-chloro-1-isopropyl-1H-pyrazolo[4,3-c]pyridine
CID 117775120
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-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine (CID 170351683) is 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine is COC1CN(c2nn(C3CCCCO3)c3cc(Cl)ncc23)CC1(F)F.
What is the InChIKey of 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The InChIKey is KZIRMYYQHPGWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF2N4O2/c1-24-12-8-22(9-16(12,18)19)15-10-7-20-13(17)6-11(10)23(21-15)14-4-2-3-5-25-14/h6-7,12,14H,2-5,8-9H2,1H3.
What are the key properties of 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 372.80 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 170351683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).