N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-indazol-1-ylpropanamide

C23H25FN4O2 — CID 1433423

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-indazol-1-ylpropanamide
SMILESO=C(CN(C(=O)CCn1ncc2ccccc21)c1cccc(F)c1)NC1CCCC1
InChIInChI=1S/C23H25FN4O2/c24-18-7-5-10-20(14-18)27(16-22(29)26-19-8-2-3-9-19)23(30)12-13-28-21-11-4-1-6-17(21)15-25-28/h1,4-7,10-11,14-15,19H,2-3,8-9,12-13,16H2,(H,26,29)
InChIKeyBSAPGFIDCSJGBK-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.66
Rot. Bonds7

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-indazol-1-ylpropanamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-indazol-1-ylpropanamide (PubChem CID 1433423) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-indazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-indazol-1-ylpropanamide
PubChem CID1433423
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-indazol-1-ylpropanamide
SMILESO=C(CN(C(=O)CCn1ncc2ccccc21)c1cccc(F)c1)NC1CCCC1
InChIInChI=1S/C23H25FN4O2/c24-18-7-5-10-20(14-18)27(16-22(29)26-19-8-2-3-9-19)23(30)12-13-28-21-11-4-1-6-17(21)15-25-28/h1,4-7,10-11,14-15,19H,2-3,8-9,12-13,16H2,(H,26,29)
InChIKeyBSAPGFIDCSJGBK-UHFFFAOYSA-N
XLogP3.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 1433196
N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211290
N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide
CID 3204903
N'-(3-chloro-4-fluorophenyl)-N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 155902534
2-(6-chloroindazol-1-yl)-N-cyclohexylacetamide
CID 22510003
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-3-indazol-1-ylpropanamide
CID 139937747
3-indazol-1-ylpropanoic acid
CID 805922
2-(N-acetylanilino)-N-cyclopentylacetamide
CID 113167073
N-cyclohexyl-2-(N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]-3-methylanilino)acetamide
CID 3182279
3-indazol-1-ylpropanoate
CID 5147223
2-(4-chloroindazol-1-yl)-N-cyclopentylacetamide
CID 22510062
N-cyclohexyl-2-(N,3-diacetylanilino)acetamide
CID 113175380

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-indazol-1-ylpropanamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-indazol-1-ylpropanamide (CID 1433423) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-indazol-1-ylpropanamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-indazol-1-ylpropanamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-indazol-1-ylpropanamide is O=C(CN(C(=O)CCn1ncc2ccccc21)c1cccc(F)c1)NC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-indazol-1-ylpropanamide?
The InChIKey is BSAPGFIDCSJGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-18-7-5-10-20(14-18)27(16-22(29)26-19-8-2-3-9-19)23(30)12-13-28-21-11-4-1-6-17(21)15-25-28/h1,4-7,10-11,14-15,19H,2-3,8-9,12-13,16H2,(H,26,29).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-indazol-1-ylpropanamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-indazol-1-ylpropanamide has a molecular weight of 408.48 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-indazol-1-ylpropanamide is sourced from PubChem (CID 1433423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).