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

C30H37N5O — CID 134329948

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)Cc5cc(C)nn5C)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C30H37N5O/c1-18(2)29-26-16-23(7-8-27(26)32-30(29)24-13-19(3)31-20(4)14-24)22-9-11-35(12-10-22)28(36)17-25-15-21(5)33-34(25)6/h7-8,13-16,18,22,32H,9-12,17H2,1-6H3
InChIKeyZRYFWSRXIGDAGW-UHFFFAOYSA-N
MW483.66 g/mol
LogP5.96
Rot. Bonds5

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

2-(2,5-dimethylpyrazol-3-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone (PubChem CID 134329948) has the molecular formula C30H37N5O and a molecular weight of 483.66 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
PubChem CID134329948
Molecular FormulaC30H37N5O
Molecular Weight483.66 g/mol
Exact Mass483.30
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)Cc5cc(C)nn5C)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C30H37N5O/c1-18(2)29-26-16-23(7-8-27(26)32-30(29)24-13-19(3)31-20(4)14-24)22-9-11-35(12-10-22)28(36)17-25-15-21(5)33-34(25)6/h7-8,13-16,18,22,32H,9-12,17H2,1-6H3
InChIKeyZRYFWSRXIGDAGW-UHFFFAOYSA-N
XLogP5.96
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone (CID 134329948) is 2-(2,5-dimethylpyrazol-3-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)Cc5cc(C)nn5C)CC4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is ZRYFWSRXIGDAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O/c1-18(2)29-26-16-23(7-8-27(26)32-30(29)24-13-19(3)31-20(4)14-24)22-9-11-35(12-10-22)28(36)17-25-15-21(5)33-34(25)6/h7-8,13-16,18,22,32H,9-12,17H2,1-6H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?
2-(2,5-dimethylpyrazol-3-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 483.66 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 134329948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).