1-benzhydryl-3-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]pyrazol-5-amine

C55H59F2N11O2 — CID 157342721

IUPAC1-benzhydryl-3-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]pyrazol-5-amine
SMILESCC(C)Oc1ccc(N2CCC(c3cc(N)n(C(c4ccccc4)c4ccccc4)n3)CC2)nn1.Nc1cc(C2CCN(c3ccc(OC(F)F)cn3)CC2)nn1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N6O.C27H27F2N5O/c1-20(2)35-27-14-13-26(30-31-27)33-17-15-21(16-18-33)24-19-25(29)34(32-24)28(22-9-5-3-6-10-22)23-11-7-4-8-12-23;28-27(29)35-22-11-12-25(31-18-22)33-15-13-19(14-16-33)23-17-24(30)34(32-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h3-14,19-21,28H,15-18,29H2,1-2H3;1-12,17-19,26-27H,13-16,30H2
InChIKeyBGOZOTCRJSLJFY-UHFFFAOYSA-N
MW944.15 g/mol
LogP10.55
Rot. Bonds14

About 1-benzhydryl-3-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]pyrazol-5-amine

1-benzhydryl-3-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]pyrazol-5-amine (PubChem CID 157342721) has the molecular formula C55H59F2N11O2 and a molecular weight of 944.15 g/mol. Its IUPAC name is 1-benzhydryl-3-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-benzhydryl-3-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]pyrazol-5-amine
PubChem CID157342721
Molecular FormulaC55H59F2N11O2
Molecular Weight944.15 g/mol
Exact Mass943.48
IUPAC Name1-benzhydryl-3-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]pyrazol-5-amine
SMILESCC(C)Oc1ccc(N2CCC(c3cc(N)n(C(c4ccccc4)c4ccccc4)n3)CC2)nn1.Nc1cc(C2CCN(c3ccc(OC(F)F)cn3)CC2)nn1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N6O.C27H27F2N5O/c1-20(2)35-27-14-13-26(30-31-27)33-17-15-21(16-18-33)24-19-25(29)34(32-24)28(22-9-5-3-6-10-22)23-11-7-4-8-12-23;28-27(29)35-22-11-12-25(31-18-22)33-15-13-19(14-16-33)23-17-24(30)34(32-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h3-14,19-21,28H,15-18,29H2,1-2H3;1-12,17-19,26-27H,13-16,30H2
InChIKeyBGOZOTCRJSLJFY-UHFFFAOYSA-N
XLogP10.55
TPSA151.29 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500944.15
LogP ≤ 510.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 1-benzhydryl-3-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]pyrazol-5-amine with MolForge

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Related Compounds

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
5-[1-(3,3-Difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine
CID 78319051
US9670208, Example 113
CID 118209511
US10640495, Example I-280
CID 135230707
US11247990, Example 159
CID 138682864
US11247990, Example 137
CID 138715037
US11247990, Example 146
CID 138715142
US11247990, Example 177
CID 138715145
US11247990, Example 327
CID 138715181
US11247990, Example 164
CID 138715250
US11247990, Example 207
CID 138715441
US11247990, Example 304
CID 138715527

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]pyrazol-5-amine?
The IUPAC name of 1-benzhydryl-3-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]pyrazol-5-amine (CID 157342721) is 1-benzhydryl-3-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]pyrazol-5-amine.
What is the SMILES notation for 1-benzhydryl-3-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]pyrazol-5-amine?
The canonical SMILES for 1-benzhydryl-3-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]pyrazol-5-amine is CC(C)Oc1ccc(N2CCC(c3cc(N)n(C(c4ccccc4)c4ccccc4)n3)CC2)nn1.Nc1cc(C2CCN(c3ccc(OC(F)F)cn3)CC2)nn1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]pyrazol-5-amine?
The InChIKey is BGOZOTCRJSLJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O.C27H27F2N5O/c1-20(2)35-27-14-13-26(30-31-27)33-17-15-21(16-18-33)24-19-25(29)34(32-24)28(22-9-5-3-6-10-22)23-11-7-4-8-12-23;28-27(29)35-22-11-12-25(31-18-22)33-15-13-19(14-16-33)23-17-24(30)34(32-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h3-14,19-21,28H,15-18,29H2,1-2H3;1-12,17-19,26-27H,13-16,30H2.
What are the key properties of 1-benzhydryl-3-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]pyrazol-5-amine?
1-benzhydryl-3-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]pyrazol-5-amine has a molecular weight of 944.15 g/mol, XLogP of 10.55, 14 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]pyrazol-5-amine is sourced from PubChem (CID 157342721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).