(3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide

C26H29N5O2 — CID 41188599

IUPAC(3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)C1
InChIInChI=1S/C26H29N5O2/c27-26(33)21-8-5-13-30(16-21)17-25(32)28-24-15-23(29-31(24)22-9-2-1-3-10-22)20-12-11-18-6-4-7-19(18)14-20/h1-3,9-12,14-15,21H,4-8,13,16-17H2,(H2,27,33)(H,28,32)/t21-/m1/s1
InChIKeyNCUIAXPNQAUUSG-OAQYLSRUSA-N
MW443.55 g/mol
LogP3.16
Rot. Bonds6

About (3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide

(3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 41188599) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is (3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID41188599
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name(3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)C1
InChIInChI=1S/C26H29N5O2/c27-26(33)21-8-5-13-30(16-21)17-25(32)28-24-15-23(29-31(24)22-9-2-1-3-10-22)20-12-11-18-6-4-7-19(18)14-20/h1-3,9-12,14-15,21H,4-8,13,16-17H2,(H2,27,33)(H,28,32)/t21-/m1/s1
InChIKeyNCUIAXPNQAUUSG-OAQYLSRUSA-N
XLogP3.16
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-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

1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 47089990
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]acetamide
CID 112805945
2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 112773177
(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
CID 9306022
1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 24568699
(3S)-1-[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 8709741
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 111543790
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
2-(4-hydroxypiperidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
CID 18196319
1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide
CID 60589023
ethyl (3R)-1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 30887295
(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide
CID 9305645

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide (CID 41188599) is (3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)C1.
What is the InChIKey of (3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is NCUIAXPNQAUUSG-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H29N5O2/c27-26(33)21-8-5-13-30(16-21)17-25(32)28-24-15-23(29-31(24)22-9-2-1-3-10-22)20-12-11-18-6-4-7-19(18)14-20/h1-3,9-12,14-15,21H,4-8,13,16-17H2,(H2,27,33)(H,28,32)/t21-/m1/s1.
What are the key properties of (3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide?
(3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 41188599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).