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

C30H37N5O — CID 134329223

IUPAC1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CCn5ccc(C)n5)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C30H37N5O/c1-19(2)29-26-18-24(6-7-27(26)32-30(29)25-16-21(4)31-22(5)17-25)23-9-12-34(13-10-23)28(36)11-15-35-14-8-20(3)33-35/h6-8,14,16-19,23,32H,9-13,15H2,1-5H3
InChIKeyOMMLETBXMKOTNC-UHFFFAOYSA-N
MW483.66 g/mol
LogP6.27
Rot. Bonds6

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

1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (PubChem CID 134329223) has the molecular formula C30H37N5O and a molecular weight of 483.66 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]-3-(3-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
PubChem CID134329223
Molecular FormulaC30H37N5O
Molecular Weight483.66 g/mol
Exact Mass483.30
IUPAC Name1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CCn5ccc(C)n5)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C30H37N5O/c1-19(2)29-26-18-24(6-7-27(26)32-30(29)25-16-21(4)31-22(5)17-25)23-9-12-34(13-10-23)28(36)11-15-35-14-8-20(3)33-35/h6-8,14,16-19,23,32H,9-13,15H2,1-5H3
InChIKeyOMMLETBXMKOTNC-UHFFFAOYSA-N
XLogP6.27
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one 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]-3-(3-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (CID 134329223) is 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.
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]-3-(3-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CCn5ccc(C)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]-3-(3-methylpyrazol-1-yl)propan-1-one?
The InChIKey is OMMLETBXMKOTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O/c1-19(2)29-26-18-24(6-7-27(26)32-30(29)25-16-21(4)31-22(5)17-25)23-9-12-34(13-10-23)28(36)11-15-35-14-8-20(3)33-35/h6-8,14,16-19,23,32H,9-13,15H2,1-5H3.
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]-3-(3-methylpyrazol-1-yl)propan-1-one?
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one has a molecular weight of 483.66 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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]-3-(3-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 134329223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).