6-(cyclopropylmethyl)-2-fluoro-3-[1-(oxetan-3-yl)-4-propan-2-ylpyrazol-5-yl]pyridine

C18H22FN3O — CID 167692782

IUPAC6-(cyclopropylmethyl)-2-fluoro-3-[1-(oxetan-3-yl)-4-propan-2-ylpyrazol-5-yl]pyridine
SMILESCC(C)c1cnn(C2COC2)c1-c1ccc(CC2CC2)nc1F
InChIInChI=1S/C18H22FN3O/c1-11(2)16-8-20-22(14-9-23-10-14)17(16)15-6-5-13(21-18(15)19)7-12-3-4-12/h5-6,8,11-12,14H,3-4,7,9-10H2,1-2H3
InChIKeyXEVQKPINDBDZGH-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.73
Rot. Bonds5

About 6-(cyclopropylmethyl)-2-fluoro-3-[1-(oxetan-3-yl)-4-propan-2-ylpyrazol-5-yl]pyridine

6-(cyclopropylmethyl)-2-fluoro-3-[1-(oxetan-3-yl)-4-propan-2-ylpyrazol-5-yl]pyridine (PubChem CID 167692782) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-2-fluoro-3-[1-(oxetan-3-yl)-4-propan-2-ylpyrazol-5-yl]pyridine.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-2-fluoro-3-[1-(oxetan-3-yl)-4-propan-2-ylpyrazol-5-yl]pyridine
PubChem CID167692782
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name6-(cyclopropylmethyl)-2-fluoro-3-[1-(oxetan-3-yl)-4-propan-2-ylpyrazol-5-yl]pyridine
SMILESCC(C)c1cnn(C2COC2)c1-c1ccc(CC2CC2)nc1F
InChIInChI=1S/C18H22FN3O/c1-11(2)16-8-20-22(14-9-23-10-14)17(16)15-6-5-13(21-18(15)19)7-12-3-4-12/h5-6,8,11-12,14H,3-4,7,9-10H2,1-2H3
InChIKeyXEVQKPINDBDZGH-UHFFFAOYSA-N
XLogP3.73
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.73
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

6-ethyl-2-fluoro-3-[1-(1-methylpiperidin-4-yl)-4-propan-2-ylpyrazol-5-yl]pyridine
CID 166511087
N-cyclopropyl-5-(1-cyclopropyl-4-propan-2-ylpyrazol-5-yl)-6-fluoropyridin-2-amine
CID 166511085
1-[5-(6-bromo-2-fluoro-3-pyridinyl)-1-(oxan-4-yl)pyrazol-4-yl]ethanone
CID 167531567
4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine
CID 135274324
6-(cyclopropylmethyl)-2-methyl-3-propan-2-ylpyridine;ethane;trifluoro(methoxy)methane
CID 176693998
2-(4-cyclohexyl-3-methylbutan-2-yl)-4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine
CID 166750746
2-(cyclopropylmethyl)-6-fluoro-3-propan-2-ylpyridine
CID 130382070
1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole
CID 176644933
1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole
CID 169167177
4-methyl-1-(oxolan-3-yl)-5-propan-2-ylpyrazole
CID 174248923
N-cyclopropyl-6-fluoro-5-[4-methylsulfanyl-1-(oxetan-3-yl)pyrazol-3-yl]pyridin-2-amine
CID 167271296
1-(oxan-3-yl)-6-propan-2-ylindazole
CID 153308080

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-2-fluoro-3-[1-(oxetan-3-yl)-4-propan-2-ylpyrazol-5-yl]pyridine?
The IUPAC name of 6-(cyclopropylmethyl)-2-fluoro-3-[1-(oxetan-3-yl)-4-propan-2-ylpyrazol-5-yl]pyridine (CID 167692782) is 6-(cyclopropylmethyl)-2-fluoro-3-[1-(oxetan-3-yl)-4-propan-2-ylpyrazol-5-yl]pyridine.
What is the SMILES notation for 6-(cyclopropylmethyl)-2-fluoro-3-[1-(oxetan-3-yl)-4-propan-2-ylpyrazol-5-yl]pyridine?
The canonical SMILES for 6-(cyclopropylmethyl)-2-fluoro-3-[1-(oxetan-3-yl)-4-propan-2-ylpyrazol-5-yl]pyridine is CC(C)c1cnn(C2COC2)c1-c1ccc(CC2CC2)nc1F.
What is the InChIKey of 6-(cyclopropylmethyl)-2-fluoro-3-[1-(oxetan-3-yl)-4-propan-2-ylpyrazol-5-yl]pyridine?
The InChIKey is XEVQKPINDBDZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-11(2)16-8-20-22(14-9-23-10-14)17(16)15-6-5-13(21-18(15)19)7-12-3-4-12/h5-6,8,11-12,14H,3-4,7,9-10H2,1-2H3.
What are the key properties of 6-(cyclopropylmethyl)-2-fluoro-3-[1-(oxetan-3-yl)-4-propan-2-ylpyrazol-5-yl]pyridine?
6-(cyclopropylmethyl)-2-fluoro-3-[1-(oxetan-3-yl)-4-propan-2-ylpyrazol-5-yl]pyridine has a molecular weight of 315.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-2-fluoro-3-[1-(oxetan-3-yl)-4-propan-2-ylpyrazol-5-yl]pyridine is sourced from PubChem (CID 167692782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).