6-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]bicyclo[2.2.1]heptan-2-ol

C16H17ClF2N4O — CID 167425756

IUPAC6-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]bicyclo[2.2.1]heptan-2-ol
SMILESOC1CC2CC(Nc3cc(Cl)ncc3-c3ccn(C(F)F)n3)C1C2
InChIInChI=1S/C16H17ClF2N4O/c17-15-6-13(21-12-4-8-3-9(12)14(24)5-8)10(7-20-15)11-1-2-23(22-11)16(18)19/h1-2,6-9,12,14,16,24H,3-5H2,(H,20,21)
InChIKeyUOJRRGMKDRZVNR-UHFFFAOYSA-N
MW354.79 g/mol
LogP3.56
Rot. Bonds4

About 6-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]bicyclo[2.2.1]heptan-2-ol

6-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]bicyclo[2.2.1]heptan-2-ol (PubChem CID 167425756) has the molecular formula C16H17ClF2N4O and a molecular weight of 354.79 g/mol. Its IUPAC name is 6-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name6-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]bicyclo[2.2.1]heptan-2-ol
PubChem CID167425756
Molecular FormulaC16H17ClF2N4O
Molecular Weight354.79 g/mol
Exact Mass354.11
IUPAC Name6-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]bicyclo[2.2.1]heptan-2-ol
SMILESOC1CC2CC(Nc3cc(Cl)ncc3-c3ccn(C(F)F)n3)C1C2
InChIInChI=1S/C16H17ClF2N4O/c17-15-6-13(21-12-4-8-3-9(12)14(24)5-8)10(7-20-15)11-1-2-23(22-11)16(18)19/h1-2,6-9,12,14,16,24H,3-5H2,(H,20,21)
InChIKeyUOJRRGMKDRZVNR-UHFFFAOYSA-N
XLogP3.56
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 6-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]bicyclo[2.2.1]heptan-2-ol (CID 167425756) is 6-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 6-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 6-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]bicyclo[2.2.1]heptan-2-ol is OC1CC2CC(Nc3cc(Cl)ncc3-c3ccn(C(F)F)n3)C1C2.
What is the InChIKey of 6-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]bicyclo[2.2.1]heptan-2-ol?
The InChIKey is UOJRRGMKDRZVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N4O/c17-15-6-13(21-12-4-8-3-9(12)14(24)5-8)10(7-20-15)11-1-2-23(22-11)16(18)19/h1-2,6-9,12,14,16,24H,3-5H2,(H,20,21).
What are the key properties of 6-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]bicyclo[2.2.1]heptan-2-ol?
6-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]bicyclo[2.2.1]heptan-2-ol has a molecular weight of 354.79 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 167425756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).