3-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]propan-1-one

C31H39N5O — CID 134329290

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]propan-1-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CCn5nc(C)cc5C)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C31H39N5O/c1-19(2)30-27-18-25(7-8-28(27)33-31(30)26-16-20(3)32-21(4)17-26)24-9-12-35(13-10-24)29(37)11-14-36-23(6)15-22(5)34-36/h7-8,15-19,24,33H,9-14H2,1-6H3
InChIKeyFCPBJEYEDRYJHS-UHFFFAOYSA-N
MW497.69 g/mol
LogP6.58
Rot. Bonds6

About 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]propan-1-one (PubChem CID 134329290) has the molecular formula C31H39N5O and a molecular weight of 497.69 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]propan-1-one
PubChem CID134329290
Molecular FormulaC31H39N5O
Molecular Weight497.69 g/mol
Exact Mass497.32
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]propan-1-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CCn5nc(C)cc5C)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C31H39N5O/c1-19(2)30-27-18-25(7-8-28(27)33-31(30)26-16-20(3)32-21(4)17-26)24-9-12-35(13-10-24)29(37)11-14-36-23(6)15-22(5)34-36/h7-8,15-19,24,33H,9-14H2,1-6H3
InChIKeyFCPBJEYEDRYJHS-UHFFFAOYSA-N
XLogP6.58
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.69
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]propan-1-one (CID 134329290) is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]propan-1-one is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CCn5nc(C)cc5C)CC4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]propan-1-one?
The InChIKey is FCPBJEYEDRYJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5O/c1-19(2)30-27-18-25(7-8-28(27)33-31(30)26-16-20(3)32-21(4)17-26)24-9-12-35(13-10-24)29(37)11-14-36-23(6)15-22(5)34-36/h7-8,15-19,24,33H,9-14H2,1-6H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]propan-1-one has a molecular weight of 497.69 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 134329290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).