(3R)-N-[[7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-3-carboxamide

C20H31N5O3 — CID 42162361

IUPAC(3R)-N-[[7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-3-carboxamide
SMILESCC1(C)C(C(=O)N2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)C1(C)C
InChIInChI=1S/C20H31N5O3/c1-19(2)16(20(19,3)4)18(27)24-7-5-14-22-23-15(25(14)9-8-24)11-21-17(26)13-6-10-28-12-13/h13,16H,5-12H2,1-4H3,(H,21,26)/t13-/m1/s1
InChIKeyDYTHJNXRPQRGGT-CYBMUJFWSA-N
MW389.50 g/mol
LogP1.00
Rot. Bonds4

About (3R)-N-[[7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-3-carboxamide

(3R)-N-[[7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-3-carboxamide (PubChem CID 42162361) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is (3R)-N-[[7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-3-carboxamide
PubChem CID42162361
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Name(3R)-N-[[7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-3-carboxamide
SMILESCC1(C)C(C(=O)N2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)C1(C)C
InChIInChI=1S/C20H31N5O3/c1-19(2)16(20(19,3)4)18(27)24-7-5-14-22-23-15(25(14)9-8-24)11-21-17(26)13-6-10-28-12-13/h13,16H,5-12H2,1-4H3,(H,21,26)/t13-/m1/s1
InChIKeyDYTHJNXRPQRGGT-CYBMUJFWSA-N
XLogP1.00
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[[7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[[7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-3-carboxamide (CID 42162361) is (3R)-N-[[7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[[7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[[7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-3-carboxamide is CC1(C)C(C(=O)N2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)C1(C)C.
What is the InChIKey of (3R)-N-[[7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-3-carboxamide?
The InChIKey is DYTHJNXRPQRGGT-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-19(2)16(20(19,3)4)18(27)24-7-5-14-22-23-15(25(14)9-8-24)11-21-17(26)13-6-10-28-12-13/h13,16H,5-12H2,1-4H3,(H,21,26)/t13-/m1/s1.
What are the key properties of (3R)-N-[[7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-3-carboxamide?
(3R)-N-[[7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 42162361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).