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

C29H35N5O — CID 139447351

IUPAC1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)Cc5cc(C)[nH]n5)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C29H35N5O/c1-17(2)28-25-15-22(6-7-26(25)31-29(28)23-12-18(3)30-19(4)13-23)21-8-10-34(11-9-21)27(35)16-24-14-20(5)32-33-24/h6-7,12-15,17,21,31H,8-11,16H2,1-5H3,(H,32,33)
InChIKeyHDLDTOGRCSYOKE-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.95
Rot. Bonds5

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

1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone (PubChem CID 139447351) has the molecular formula C29H35N5O and a molecular weight of 469.63 g/mol. Its IUPAC name is 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
PubChem CID139447351
Molecular FormulaC29H35N5O
Molecular Weight469.63 g/mol
Exact Mass469.28
IUPAC Name1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)Cc5cc(C)[nH]n5)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C29H35N5O/c1-17(2)28-25-15-22(6-7-26(25)31-29(28)23-12-18(3)30-19(4)13-23)21-8-10-34(11-9-21)27(35)16-24-14-20(5)32-33-24/h6-7,12-15,17,21,31H,8-11,16H2,1-5H3,(H,32,33)
InChIKeyHDLDTOGRCSYOKE-UHFFFAOYSA-N
XLogP5.95
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone?
The IUPAC name of 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone (CID 139447351) is 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone?
The canonical SMILES for 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)Cc5cc(C)[nH]n5)CC4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone?
The InChIKey is HDLDTOGRCSYOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O/c1-17(2)28-25-15-22(6-7-26(25)31-29(28)23-12-18(3)30-19(4)13-23)21-8-10-34(11-9-21)27(35)16-24-14-20(5)32-33-24/h6-7,12-15,17,21,31H,8-11,16H2,1-5H3,(H,32,33).
What are the key properties of 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone?
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone has a molecular weight of 469.63 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone is sourced from PubChem (CID 139447351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).