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

C25H32FN5O2 — CID 176932415

IUPAC1-[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
SMILESCCc1cc(C2CCCN(C(=O)CCN3C=CCN3)C2)c(F)c2[nH]c(C(=O)N3CCC3)cc12
InChIInChI=1S/C25H32FN5O2/c1-2-17-14-19(23(26)24-20(17)15-21(28-24)25(33)29-10-5-11-29)18-6-3-9-30(16-18)22(32)7-13-31-12-4-8-27-31/h4,12,14-15,18,27-28H,2-3,5-11,13,16H2,1H3
InChIKeyRGEUKVIPIFYIPK-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.15
Rot. Bonds6

About 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

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 (PubChem CID 176932415) has the molecular formula C25H32FN5O2 and a molecular weight of 453.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID176932415
Molecular FormulaC25H32FN5O2
Molecular Weight453.56 g/mol
Exact Mass453.25
IUPAC Name1-[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
SMILESCCc1cc(C2CCCN(C(=O)CCN3C=CCN3)C2)c(F)c2[nH]c(C(=O)N3CCC3)cc12
InChIInChI=1S/C25H32FN5O2/c1-2-17-14-19(23(26)24-20(17)15-21(28-24)25(33)29-10-5-11-29)18-6-3-9-30(16-18)22(32)7-13-31-12-4-8-27-31/h4,12,14-15,18,27-28H,2-3,5-11,13,16H2,1H3
InChIKeyRGEUKVIPIFYIPK-UHFFFAOYSA-N
XLogP3.15
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-(4-ethyl-7-fluoro-1H-indol-2-yl)methanone;3-(1,5-dihydropyrazol-2-yl)-1-piperidin-1-ylpropan-1-one
CID 176932341
1-[(3S)-3-[7-fluoro-2-(piperidine-1-carbonyl)-4-propan-2-yl-1H-indol-6-yl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 176931731
1-[(3S)-3-[2-(azetidine-1-carbonyl)-7-fluoro-4-propan-2-yl-1H-indol-6-yl]piperidin-1-yl]ethanone
CID 176933666
4-chloro-7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxylic acid
CID 177170580
4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
CID 177171027
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
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
7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide
CID 176933760
N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 176931722
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-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
CID 176931981
3-[5-[3-[4-[4-[6-[(3R)-1-acetylpiperidin-3-yl]-2-(azetidine-1-carbonyl)-7-fluoro-1H-indol-4-yl]phenyl]piperazin-1-yl]propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 176933811

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(C2CCCN(C(=O)CCN3C=CCN3)C2)c(F)c2[nH]c(C(=O)N3CCC3)cc12.
What is the InChIKey of 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?
The InChIKey is RGEUKVIPIFYIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O2/c1-2-17-14-19(23(26)24-20(17)15-21(28-24)25(33)29-10-5-11-29)18-6-3-9-30(16-18)22(32)7-13-31-12-4-8-27-31/h4,12,14-15,18,27-28H,2-3,5-11,13,16H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 453.56 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176932415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).