1-benzhydryl-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine

C56H59F3N10O — CID 162135905

IUPAC1-benzhydryl-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine
SMILESCC(C)Oc1ccc(N2CCC(c3cc(N)n(C(c4ccccc4)c4ccccc4)n3)CC2)nc1.Nc1cc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)nn1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33N5O.C27H26F3N5/c1-21(2)35-25-13-14-28(31-20-25)33-17-15-22(16-18-33)26-19-27(30)34(32-26)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24;28-27(29,30)22-11-12-25(32-18-22)34-15-13-19(14-16-34)23-17-24(31)35(33-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h3-14,19-22,29H,15-18,30H2,1-2H3;1-12,17-19,26H,13-16,31H2
InChIKeyZJGXPZNZYVZBFS-UHFFFAOYSA-N
MW945.15 g/mol
LogP11.57
Rot. Bonds12

About 1-benzhydryl-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine

1-benzhydryl-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine (PubChem CID 162135905) has the molecular formula C56H59F3N10O and a molecular weight of 945.15 g/mol. Its IUPAC name is 1-benzhydryl-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-benzhydryl-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine
PubChem CID162135905
Molecular FormulaC56H59F3N10O
Molecular Weight945.15 g/mol
Exact Mass944.48
IUPAC Name1-benzhydryl-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine
SMILESCC(C)Oc1ccc(N2CCC(c3cc(N)n(C(c4ccccc4)c4ccccc4)n3)CC2)nc1.Nc1cc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)nn1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33N5O.C27H26F3N5/c1-21(2)35-25-13-14-28(31-20-25)33-17-15-22(16-18-33)26-19-27(30)34(32-26)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24;28-27(29,30)22-11-12-25(32-18-22)34-15-13-19(14-16-34)23-17-24(31)35(33-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h3-14,19-22,29H,15-18,30H2,1-2H3;1-12,17-19,26H,13-16,31H2
InChIKeyZJGXPZNZYVZBFS-UHFFFAOYSA-N
XLogP11.57
TPSA129.17 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500945.15
LogP ≤ 511.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-benzhydryl-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]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
US11247990, Example 159
CID 138682864
US11247990, Example 132
CID 138715027
US11247990, Example 137
CID 138715037
US11247990, Example 146
CID 138715142
US11247990, Example 177
CID 138715145
US11247990, Example 164
CID 138715250
US11247990, Example 207
CID 138715441
US11247990, Example 304
CID 138715527
US11247990, Example 205
CID 138715555

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine?
The IUPAC name of 1-benzhydryl-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine (CID 162135905) is 1-benzhydryl-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine.
What is the SMILES notation for 1-benzhydryl-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine?
The canonical SMILES for 1-benzhydryl-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine is CC(C)Oc1ccc(N2CCC(c3cc(N)n(C(c4ccccc4)c4ccccc4)n3)CC2)nc1.Nc1cc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)nn1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine?
The InChIKey is ZJGXPZNZYVZBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O.C27H26F3N5/c1-21(2)35-25-13-14-28(31-20-25)33-17-15-22(16-18-33)26-19-27(30)34(32-26)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24;28-27(29,30)22-11-12-25(32-18-22)34-15-13-19(14-16-34)23-17-24(31)35(33-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h3-14,19-22,29H,15-18,30H2,1-2H3;1-12,17-19,26H,13-16,31H2.
What are the key properties of 1-benzhydryl-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine?
1-benzhydryl-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine has a molecular weight of 945.15 g/mol, XLogP of 11.57, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]pyrazol-5-amine;1-benzhydryl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazol-5-amine is sourced from PubChem (CID 162135905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).