2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine

C15H14ClF2N3O — CID 150825451

IUPAC2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine
SMILESFC1(F)CC(c2nn(C3CC3)cc2Oc2ccnc(Cl)c2)C1
InChIInChI=1S/C15H14ClF2N3O/c16-13-5-11(3-4-19-13)22-12-8-21(10-1-2-10)20-14(12)9-6-15(17,18)7-9/h3-5,8-10H,1-2,6-7H2
InChIKeyKKVDEACBWVZZIG-UHFFFAOYSA-N
MW325.75 g/mol
LogP4.57
Rot. Bonds4

About 2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine

2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine (PubChem CID 150825451) has the molecular formula C15H14ClF2N3O and a molecular weight of 325.75 g/mol. Its IUPAC name is 2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine.

Molecular Properties

Compound Name2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine
PubChem CID150825451
Molecular FormulaC15H14ClF2N3O
Molecular Weight325.75 g/mol
Exact Mass325.08
IUPAC Name2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine
SMILESFC1(F)CC(c2nn(C3CC3)cc2Oc2ccnc(Cl)c2)C1
InChIInChI=1S/C15H14ClF2N3O/c16-13-5-11(3-4-19-13)22-12-8-21(10-1-2-10)20-14(12)9-6-15(17,18)7-9/h3-5,8-10H,1-2,6-7H2
InChIKeyKKVDEACBWVZZIG-UHFFFAOYSA-N
XLogP4.57
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine
CID 147277185
2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine
CID 121249468
2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine
CID 121249435
4-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol
CID 151675006
1-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-4,4-difluorocyclohexan-1-ol
CID 149066952
2-[3-[[4-(3-cyclobutyl-1-cyclopropylpyrazol-4-yl)oxy-2-pyridinyl]amino]phenyl]-2-methylpropanoic acid
CID 154975369
6-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-6-(3-hydroxyazetidin-1-yl)cyclohexa-2,4-diene-1-carbonitrile
CID 175020839
4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine
CID 162512313
N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine
CID 151726288
2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine
CID 155765610
2-[3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]phenyl]-2-methylpropanoic acid
CID 162781480
5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine
CID 154963843

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine?
The IUPAC name of 2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine (CID 150825451) is 2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine.
What is the SMILES notation for 2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine?
The canonical SMILES for 2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine is FC1(F)CC(c2nn(C3CC3)cc2Oc2ccnc(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine?
The InChIKey is KKVDEACBWVZZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N3O/c16-13-5-11(3-4-19-13)22-12-8-21(10-1-2-10)20-14(12)9-6-15(17,18)7-9/h3-5,8-10H,1-2,6-7H2.
What are the key properties of 2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine?
2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine has a molecular weight of 325.75 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine is sourced from PubChem (CID 150825451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).