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

C30H37N5O — CID 134329541

IUPAC[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)c5c(C)nn(C)c5C)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C30H37N5O/c1-17(2)27-25-16-23(8-9-26(25)32-29(27)24-14-18(3)31-19(4)15-24)22-10-12-35(13-11-22)30(36)28-20(5)33-34(7)21(28)6/h8-9,14-17,22,32H,10-13H2,1-7H3
InChIKeyZZXCTBDRNPIZPU-UHFFFAOYSA-N
MW483.66 g/mol
LogP6.34
Rot. Bonds4

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

[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 134329541) has the molecular formula C30H37N5O and a molecular weight of 483.66 g/mol. Its IUPAC name is [4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID134329541
Molecular FormulaC30H37N5O
Molecular Weight483.66 g/mol
Exact Mass483.30
IUPAC Name[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)c5c(C)nn(C)c5C)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C30H37N5O/c1-17(2)27-25-16-23(8-9-26(25)32-29(27)24-14-18(3)31-19(4)15-24)22-10-12-35(13-11-22)30(36)28-20(5)33-34(7)21(28)6/h8-9,14-17,22,32H,10-13H2,1-7H3
InChIKeyZZXCTBDRNPIZPU-UHFFFAOYSA-N
XLogP6.34
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 134329541) is [4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)c5c(C)nn(C)c5C)CC4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of [4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is ZZXCTBDRNPIZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O/c1-17(2)27-25-16-23(8-9-26(25)32-29(27)24-14-18(3)31-19(4)15-24)22-10-12-35(13-11-22)30(36)28-20(5)33-34(7)21(28)6/h8-9,14-17,22,32H,10-13H2,1-7H3.
What are the key properties of [4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 483.66 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 134329541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).