2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane

C25H35N3 — CID 164553568

IUPAC2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane
SMILESCC.Cc1cc(-c2[nH]c3cc(C4CCNCC4)ccc3c2C(C)C)cc(C)n1
InChIInChI=1S/C23H29N3.C2H6/c1-14(2)22-20-6-5-18(17-7-9-24-10-8-17)13-21(20)26-23(22)19-11-15(3)25-16(4)12-19;1-2/h5-6,11-14,17,24,26H,7-10H2,1-4H3;1-2H3
InChIKeyGCPDTNDALVSCSJ-UHFFFAOYSA-N
MW377.58 g/mol
LogP6.46
Rot. Bonds3

About 2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane

2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane (PubChem CID 164553568) has the molecular formula C25H35N3 and a molecular weight of 377.58 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane
PubChem CID164553568
Molecular FormulaC25H35N3
Molecular Weight377.58 g/mol
Exact Mass377.28
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane
SMILESCC.Cc1cc(-c2[nH]c3cc(C4CCNCC4)ccc3c2C(C)C)cc(C)n1
InChIInChI=1S/C23H29N3.C2H6/c1-14(2)22-20-6-5-18(17-7-9-24-10-8-17)13-21(20)26-23(22)19-11-15(3)25-16(4)12-19;1-2/h5-6,11-14,17,24,26H,7-10H2,1-4H3;1-2H3
InChIKeyGCPDTNDALVSCSJ-UHFFFAOYSA-N
XLogP6.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.58
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane with MolForge

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Related Compounds

2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole
CID 151132839
3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole
CID 134329293
5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole
CID 134330320
[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 134329407
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole
CID 164553706
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329762
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329839
2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine
CID 154639616
5-methyl-7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridine
CID 142594108
5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole
CID 142593838
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 134329464
6-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine
CID 142593738

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane (CID 164553568) is 2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane is CC.Cc1cc(-c2[nH]c3cc(C4CCNCC4)ccc3c2C(C)C)cc(C)n1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane?
The InChIKey is GCPDTNDALVSCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3.C2H6/c1-14(2)22-20-6-5-18(17-7-9-24-10-8-17)13-21(20)26-23(22)19-11-15(3)25-16(4)12-19;1-2/h5-6,11-14,17,24,26H,7-10H2,1-4H3;1-2H3.
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane?
2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane has a molecular weight of 377.58 g/mol, XLogP of 6.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane is sourced from PubChem (CID 164553568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).