2-[4-(1-benzhydrylpyrazol-3-yl)piperidin-1-yl]-5-(difluoromethoxy)pyridine

C27H26F2N4O — CID 150429128

IUPAC2-[4-(1-benzhydrylpyrazol-3-yl)piperidin-1-yl]-5-(difluoromethoxy)pyridine
SMILESFC(F)Oc1ccc(N2CCC(c3ccn(C(c4ccccc4)c4ccccc4)n3)CC2)nc1
InChIInChI=1S/C27H26F2N4O/c28-27(29)34-23-11-12-25(30-19-23)32-16-13-20(14-17-32)24-15-18-33(31-24)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,15,18-20,26-27H,13-14,16-17H2
InChIKeyHJKILXRFAWTPFV-UHFFFAOYSA-N
MW460.53 g/mol
LogP5.90
Rot. Bonds7

About 2-[4-(1-benzhydrylpyrazol-3-yl)piperidin-1-yl]-5-(difluoromethoxy)pyridine

2-[4-(1-benzhydrylpyrazol-3-yl)piperidin-1-yl]-5-(difluoromethoxy)pyridine (PubChem CID 150429128) has the molecular formula C27H26F2N4O and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-[4-(1-benzhydrylpyrazol-3-yl)piperidin-1-yl]-5-(difluoromethoxy)pyridine.

Molecular Properties

Compound Name2-[4-(1-benzhydrylpyrazol-3-yl)piperidin-1-yl]-5-(difluoromethoxy)pyridine
PubChem CID150429128
Molecular FormulaC27H26F2N4O
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name2-[4-(1-benzhydrylpyrazol-3-yl)piperidin-1-yl]-5-(difluoromethoxy)pyridine
SMILESFC(F)Oc1ccc(N2CCC(c3ccn(C(c4ccccc4)c4ccccc4)n3)CC2)nc1
InChIInChI=1S/C27H26F2N4O/c28-27(29)34-23-11-12-25(30-19-23)32-16-13-20(14-17-32)24-15-18-33(31-24)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,15,18-20,26-27H,13-14,16-17H2
InChIKeyHJKILXRFAWTPFV-UHFFFAOYSA-N
XLogP5.90
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-4-((1-(pyridin-2-yl)-1H-pyrazol-4-yl)methyl)piperazine
CID 44412482
6-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 49781217
6-(1-(pyridin-3-ylmethyl)-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 49781218
(2S)-1-[[4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 57856282
3-Methoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 78318141
3-methoxy-5-[5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 90292708
3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 90292721
Dlk-IN-1
CID 90292823
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-[4-[[4-[1-Cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxypyridin-2-yl]amino]pyridin-2-yl]propan-2-ol
CID 150486404
4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methyl-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)pyrimidine
CID 76284283
2-((3-(Difluoromethoxy)pyridin-2-yl)methyl)-7-(4-fluorophenyl)-8-(imidazo[l,2-a]pyridin-6-yl)-[1,2,4 triazolo[l,5-c]pyrimidin-5-amine
CID 155371229

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzhydrylpyrazol-3-yl)piperidin-1-yl]-5-(difluoromethoxy)pyridine?
The IUPAC name of 2-[4-(1-benzhydrylpyrazol-3-yl)piperidin-1-yl]-5-(difluoromethoxy)pyridine (CID 150429128) is 2-[4-(1-benzhydrylpyrazol-3-yl)piperidin-1-yl]-5-(difluoromethoxy)pyridine.
What is the SMILES notation for 2-[4-(1-benzhydrylpyrazol-3-yl)piperidin-1-yl]-5-(difluoromethoxy)pyridine?
The canonical SMILES for 2-[4-(1-benzhydrylpyrazol-3-yl)piperidin-1-yl]-5-(difluoromethoxy)pyridine is FC(F)Oc1ccc(N2CCC(c3ccn(C(c4ccccc4)c4ccccc4)n3)CC2)nc1.
What is the InChIKey of 2-[4-(1-benzhydrylpyrazol-3-yl)piperidin-1-yl]-5-(difluoromethoxy)pyridine?
The InChIKey is HJKILXRFAWTPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O/c28-27(29)34-23-11-12-25(30-19-23)32-16-13-20(14-17-32)24-15-18-33(31-24)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,15,18-20,26-27H,13-14,16-17H2.
What are the key properties of 2-[4-(1-benzhydrylpyrazol-3-yl)piperidin-1-yl]-5-(difluoromethoxy)pyridine?
2-[4-(1-benzhydrylpyrazol-3-yl)piperidin-1-yl]-5-(difluoromethoxy)pyridine has a molecular weight of 460.53 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzhydrylpyrazol-3-yl)piperidin-1-yl]-5-(difluoromethoxy)pyridine is sourced from PubChem (CID 150429128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).