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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Related Compounds

(5R)-5-(3-fluorophenyl)-1-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]hexan-1-one
CID 166997646
N-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 50964552
N-[1-(3-fluorophenyl)ethyl]-5-[2-(methylamino)-1,3-benzothiazol-6-yl]-1H-indole-3-carboxamide
CID 170009466
5-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-[1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 170009715
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 82496275
N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113021257
ethane;N-ethyl-5-(4-fluorophenyl)-1H-indole-3-carboxamide
CID 142425851
(3R)-N-[5-chloro-4-[3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90413612
N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
CID 113028924
3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide
CID 54591948
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809

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).