2-[4-[2-(3-fluoro-2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide

C26H33FN4O — CID 134329224

IUPAC2-[4-[2-(3-fluoro-2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(c2ccc3[nH]c(-c4cc(C)nc(C)c4F)c(C(C)C)c3c2)CC1
InChIInChI=1S/C26H33FN4O/c1-15(2)24-20-13-19(18-8-10-31(11-9-18)14-23(32)28-5)6-7-22(20)30-26(24)21-12-16(3)29-17(4)25(21)27/h6-7,12-13,15,18,30H,8-11,14H2,1-5H3,(H,28,32)
InChIKeyMJZGHXZGDZKOEL-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.03
Rot. Bonds5

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

2-[4-[2-(3-fluoro-2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide (PubChem CID 134329224) has the molecular formula C26H33FN4O and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[4-[2-(3-fluoro-2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-(3-fluoro-2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
PubChem CID134329224
Molecular FormulaC26H33FN4O
Molecular Weight436.58 g/mol
Exact Mass436.26
IUPAC Name2-[4-[2-(3-fluoro-2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(c2ccc3[nH]c(-c4cc(C)nc(C)c4F)c(C(C)C)c3c2)CC1
InChIInChI=1S/C26H33FN4O/c1-15(2)24-20-13-19(18-8-10-31(11-9-18)14-23(32)28-5)6-7-22(20)30-26(24)21-12-16(3)29-17(4)25(21)27/h6-7,12-13,15,18,30H,8-11,14H2,1-5H3,(H,28,32)
InChIKeyMJZGHXZGDZKOEL-UHFFFAOYSA-N
XLogP5.03
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-fluoro-2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[2-(3-fluoro-2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide (CID 134329224) is 2-[4-[2-(3-fluoro-2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-(3-fluoro-2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[2-(3-fluoro-2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(c2ccc3[nH]c(-c4cc(C)nc(C)c4F)c(C(C)C)c3c2)CC1.
What is the InChIKey of 2-[4-[2-(3-fluoro-2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide?
The InChIKey is MJZGHXZGDZKOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O/c1-15(2)24-20-13-19(18-8-10-31(11-9-18)14-23(32)28-5)6-7-22(20)30-26(24)21-12-16(3)29-17(4)25(21)27/h6-7,12-13,15,18,30H,8-11,14H2,1-5H3,(H,28,32).
What are the key properties of 2-[4-[2-(3-fluoro-2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide?
2-[4-[2-(3-fluoro-2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide has a molecular weight of 436.58 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-fluoro-2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 134329224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).