N-[5-[3-[(5R)-5-(3-fluorophenyl)hexanoyl]-1H-indol-5-yl]-2-pyridinyl]cyclopropanecarboxamide

C29H28FN3O2 — CID 166997477

IUPACN-[5-[3-[(5R)-5-(3-fluorophenyl)hexanoyl]-1H-indol-5-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESC[C@H](CCCC(=O)c1c[nH]c2ccc(-c3ccc(NC(=O)C4CC4)nc3)cc12)c1cccc(F)c1
InChIInChI=1S/C29H28FN3O2/c1-18(20-5-3-6-23(30)14-20)4-2-7-27(34)25-17-31-26-12-10-21(15-24(25)26)22-11-13-28(32-16-22)33-29(35)19-8-9-19/h3,5-6,10-19,31H,2,4,7-9H2,1H3,(H,32,33,35)/t18-/m1/s1
InChIKeyXKEHRSUOHZDNTN-GOSISDBHSA-N
MW469.56 g/mol
LogP6.87
Rot. Bonds9

About N-[5-[3-[(5R)-5-(3-fluorophenyl)hexanoyl]-1H-indol-5-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[5-[3-[(5R)-5-(3-fluorophenyl)hexanoyl]-1H-indol-5-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 166997477) has the molecular formula C29H28FN3O2 and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[5-[3-[(5R)-5-(3-fluorophenyl)hexanoyl]-1H-indol-5-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[(5R)-5-(3-fluorophenyl)hexanoyl]-1H-indol-5-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID166997477
Molecular FormulaC29H28FN3O2
Molecular Weight469.56 g/mol
Exact Mass469.22
IUPAC NameN-[5-[3-[(5R)-5-(3-fluorophenyl)hexanoyl]-1H-indol-5-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESC[C@H](CCCC(=O)c1c[nH]c2ccc(-c3ccc(NC(=O)C4CC4)nc3)cc12)c1cccc(F)c1
InChIInChI=1S/C29H28FN3O2/c1-18(20-5-3-6-23(30)14-20)4-2-7-27(34)25-17-31-26-12-10-21(15-24(25)26)22-11-13-28(32-16-22)33-29(35)19-8-9-19/h3,5-6,10-19,31H,2,4,7-9H2,1H3,(H,32,33,35)/t18-/m1/s1
InChIKeyXKEHRSUOHZDNTN-GOSISDBHSA-N
XLogP6.87
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.56
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[(5R)-5-(3-fluorophenyl)hexanoyl]-1H-indol-5-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-[(5R)-5-(3-fluorophenyl)hexanoyl]-1H-indol-5-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 166997477) is N-[5-[3-[(5R)-5-(3-fluorophenyl)hexanoyl]-1H-indol-5-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-[(5R)-5-(3-fluorophenyl)hexanoyl]-1H-indol-5-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-[(5R)-5-(3-fluorophenyl)hexanoyl]-1H-indol-5-yl]-2-pyridinyl]cyclopropanecarboxamide is C[C@H](CCCC(=O)c1c[nH]c2ccc(-c3ccc(NC(=O)C4CC4)nc3)cc12)c1cccc(F)c1.
What is the InChIKey of N-[5-[3-[(5R)-5-(3-fluorophenyl)hexanoyl]-1H-indol-5-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is XKEHRSUOHZDNTN-GOSISDBHSA-N. The full InChI is InChI=1S/C29H28FN3O2/c1-18(20-5-3-6-23(30)14-20)4-2-7-27(34)25-17-31-26-12-10-21(15-24(25)26)22-11-13-28(32-16-22)33-29(35)19-8-9-19/h3,5-6,10-19,31H,2,4,7-9H2,1H3,(H,32,33,35)/t18-/m1/s1.
What are the key properties of N-[5-[3-[(5R)-5-(3-fluorophenyl)hexanoyl]-1H-indol-5-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-[3-[(5R)-5-(3-fluorophenyl)hexanoyl]-1H-indol-5-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 469.56 g/mol, XLogP of 6.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[(5R)-5-(3-fluorophenyl)hexanoyl]-1H-indol-5-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 166997477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).