N-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide

C25H32FN5O2S — CID 176933016

IUPACN-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide
SMILESCCc1cc([C@@H]2CCCN(C(=O)CCN3C=CNN3)C2)c(F)c2sc(C(=O)N(C)C3CC3)cc12
InChIInChI=1S/C25H32FN5O2S/c1-3-16-13-19(17-5-4-10-30(15-17)22(32)8-11-31-12-9-27-28-31)23(26)24-20(16)14-21(34-24)25(33)29(2)18-6-7-18/h9,12-14,17-18,27-28H,3-8,10-11,15H2,1-2H3/t17-/m1/s1
InChIKeyLAXJCGWVCLZWKK-QGZVFWFLSA-N
MW485.63 g/mol
LogP3.73
Rot. Bonds7

About N-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide

N-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 176933016) has the molecular formula C25H32FN5O2S and a molecular weight of 485.63 g/mol. Its IUPAC name is N-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID176933016
Molecular FormulaC25H32FN5O2S
Molecular Weight485.63 g/mol
Exact Mass485.23
IUPAC NameN-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide
SMILESCCc1cc([C@@H]2CCCN(C(=O)CCN3C=CNN3)C2)c(F)c2sc(C(=O)N(C)C3CC3)cc12
InChIInChI=1S/C25H32FN5O2S/c1-3-16-13-19(17-5-4-10-30(15-17)22(32)8-11-31-12-9-27-28-31)23(26)24-20(16)14-21(34-24)25(33)29(2)18-6-7-18/h9,12-14,17-18,27-28H,3-8,10-11,15H2,1-2H3/t17-/m1/s1
InChIKeyLAXJCGWVCLZWKK-QGZVFWFLSA-N
XLogP3.73
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 176931722
1-[3-[2-(azetidine-1-carbonyl)-4-ethyl-7-fluoro-1H-indol-6-yl]piperidin-1-yl]-3-(1,5-dihydropyrazol-2-yl)propan-1-one
CID 176932415
N-cyclopropyl-4-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]phenyl]-7-fluoro-N-methyl-6-[(3R)-1-[3-(triazol-1-yl)propanoyl]piperidin-3-yl]-1-benzothiophene-2-carboxamide
CID 176932274
N-cyclopropyl-7-fluoro-N-methyl-4-propan-2-yl-1-benzothiophene-2-carboxamide;1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one
CID 176933504
7-ethyl-4-fluoro-N,N-dimethyl-5-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 176933384
4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
CID 177171027
6-[1-[3-[amino-[(Z)-2-aminoethenyl]amino]propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N-cyclopropyl-7-fluoro-N,4-dimethyl-1-benzothiophene-2-carboxamide;ethane
CID 176933949
N-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
CID 176933073
7-fluoro-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 176931616
4-chloro-7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxylic acid
CID 177170580
N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
CID 95294159
N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 176933698

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide (CID 176933016) is N-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide is CCc1cc([C@@H]2CCCN(C(=O)CCN3C=CNN3)C2)c(F)c2sc(C(=O)N(C)C3CC3)cc12.
What is the InChIKey of N-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is LAXJCGWVCLZWKK-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H32FN5O2S/c1-3-16-13-19(17-5-4-10-30(15-17)22(32)8-11-31-12-9-27-28-31)23(26)24-20(16)14-21(34-24)25(33)29(2)18-6-7-18/h9,12-14,17-18,27-28H,3-8,10-11,15H2,1-2H3/t17-/m1/s1.
What are the key properties of N-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide?
N-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 176933016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).