(2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(1H-pyrazol-5-yl)phenyl]acetamide

C32H39N5O3 — CID 57439082

IUPAC(2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(1H-pyrazol-5-yl)phenyl]acetamide
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C32H39N5O3/c1-19(2)16-26-29(38)34-27(24-17-22-8-6-7-9-23(22)18-24)31(40)37(26)28(30(39)35-32(3,4)5)21-12-10-20(11-13-21)25-14-15-33-36-25/h6-15,19,24,26-28H,16-18H2,1-5H3,(H,33,36)(H,34,38)(H,35,39)/t26-,27-,28-/m1/s1
InChIKeyNDSLGSJNCMYMFW-JCYYIGJDSA-N
MW541.70 g/mol
LogP4.19
Rot. Bonds7

About (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(1H-pyrazol-5-yl)phenyl]acetamide

(2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(1H-pyrazol-5-yl)phenyl]acetamide (PubChem CID 57439082) has the molecular formula C32H39N5O3 and a molecular weight of 541.70 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(1H-pyrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(1H-pyrazol-5-yl)phenyl]acetamide
PubChem CID57439082
Molecular FormulaC32H39N5O3
Molecular Weight541.70 g/mol
Exact Mass541.31
IUPAC Name(2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(1H-pyrazol-5-yl)phenyl]acetamide
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C32H39N5O3/c1-19(2)16-26-29(38)34-27(24-17-22-8-6-7-9-23(22)18-24)31(40)37(26)28(30(39)35-32(3,4)5)21-12-10-20(11-13-21)25-14-15-33-36-25/h6-15,19,24,26-28H,16-18H2,1-5H3,(H,33,36)(H,34,38)(H,35,39)/t26-,27-,28-/m1/s1
InChIKeyNDSLGSJNCMYMFW-JCYYIGJDSA-N
XLogP4.19
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.70
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(1H-pyrazol-5-yl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(1H-pyrazol-5-yl)phenyl]acetamide?
The IUPAC name of (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(1H-pyrazol-5-yl)phenyl]acetamide (CID 57439082) is (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(1H-pyrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(1H-pyrazol-5-yl)phenyl]acetamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(1H-pyrazol-5-yl)phenyl]acetamide is CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(1H-pyrazol-5-yl)phenyl]acetamide?
The InChIKey is NDSLGSJNCMYMFW-JCYYIGJDSA-N. The full InChI is InChI=1S/C32H39N5O3/c1-19(2)16-26-29(38)34-27(24-17-22-8-6-7-9-23(22)18-24)31(40)37(26)28(30(39)35-32(3,4)5)21-12-10-20(11-13-21)25-14-15-33-36-25/h6-15,19,24,26-28H,16-18H2,1-5H3,(H,33,36)(H,34,38)(H,35,39)/t26-,27-,28-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(1H-pyrazol-5-yl)phenyl]acetamide?
(2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(1H-pyrazol-5-yl)phenyl]acetamide has a molecular weight of 541.70 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(1H-pyrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 57439082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).