10-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-N,2-N,7-N,7-N-tetramethyl-10-(2H-tetrazol-5-yl)-9H-anthracene-2,7-dicarboxamide

C31H37N9O3 — CID 70647452

About 10-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-N,2-N,7-N,7-N-tetramethyl-10-(2H-tetrazol-5-yl)-9H-anthracene-2,7-dicarboxamide

10-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-N,2-N,7-N,7-N-tetramethyl-10-(2H-tetrazol-5-yl)-9H-anthracene-2,7-dicarboxamide (PubChem CID 70647452) has the molecular formula C31H37N9O3 and a molecular weight of 583.70 g/mol. Its IUPAC name is 10-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-N,2-N,7-N,7-N-tetramethyl-10-(2H-tetrazol-5-yl)-9H-anthracene-2,7-dicarboxamide.

Molecular Properties

• Compound Name: 10-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-N,2-N,7-N,7-N-tetramethyl-10-(2H-tetrazol-5-yl)-9H-anthracene-2,7-dicarboxamide
• PubChem CID: 70647452
• Molecular Formula: C31H37N9O3
• Molecular Weight: 583.70 g/mol
• Exact Mass: 583.30
• IUPAC Name: 10-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-N,2-N,7-N,7-N-tetramethyl-10-(2H-tetrazol-5-yl)-9H-anthracene-2,7-dicarboxamide
• SMILES: C[C@H](CC1(c2nn[nH]n2)c2ccc(C(=O)N(C)C)cc2Cc2cc(C(=O)N(C)C)ccc21)NCC(=O)N1CCCC1C#N
• InChI: InChI=1S/C31H37N9O3/c1-19(33-18-27(41)40-12-6-7-24(40)17-32)16-31(30-34-36-37-35-30)25-10-8-20(28(42)38(2)3)13-22(25)15-23-14-21(9-11-26(23)31)29(43)39(4)5/h8-11,13-14,19,24,33H,6-7,12,15-16,18H2,1-5H3,(H,34,35,36,37)/t19-,24?/m1/s1
• InChIKey: FGUFRQRXAIFWGF-PHSANKKPSA-N
• XLogP: 1.72
• TPSA: 151.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.70
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 10-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-N,2-N,7-N,7-N-tetramethyl-10-(2H-tetrazol-5-yl)-9H-anthracene-2,7-dicarboxamide?

The IUPAC name of 10-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-N,2-N,7-N,7-N-tetramethyl-10-(2H-tetrazol-5-yl)-9H-anthracene-2,7-dicarboxamide (CID 70647452) is 10-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-N,2-N,7-N,7-N-tetramethyl-10-(2H-tetrazol-5-yl)-9H-anthracene-2,7-dicarboxamide.

What is the SMILES notation for 10-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-N,2-N,7-N,7-N-tetramethyl-10-(2H-tetrazol-5-yl)-9H-anthracene-2,7-dicarboxamide?

The canonical SMILES for 10-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-N,2-N,7-N,7-N-tetramethyl-10-(2H-tetrazol-5-yl)-9H-anthracene-2,7-dicarboxamide is C[C@H](CC1(c2nn[nH]n2)c2ccc(C(=O)N(C)C)cc2Cc2cc(C(=O)N(C)C)ccc21)NCC(=O)N1CCCC1C#N.

What is the InChIKey of 10-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-N,2-N,7-N,7-N-tetramethyl-10-(2H-tetrazol-5-yl)-9H-anthracene-2,7-dicarboxamide?

The InChIKey is FGUFRQRXAIFWGF-PHSANKKPSA-N. The full InChI is InChI=1S/C31H37N9O3/c1-19(33-18-27(41)40-12-6-7-24(40)17-32)16-31(30-34-36-37-35-30)25-10-8-20(28(42)38(2)3)13-22(25)15-23-14-21(9-11-26(23)31)29(43)39(4)5/h8-11,13-14,19,24,33H,6-7,12,15-16,18H2,1-5H3,(H,34,35,36,37)/t19-,24?/m1/s1.

What are the key properties of 10-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-N,2-N,7-N,7-N-tetramethyl-10-(2H-tetrazol-5-yl)-9H-anthracene-2,7-dicarboxamide?

10-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-N,2-N,7-N,7-N-tetramethyl-10-(2H-tetrazol-5-yl)-9H-anthracene-2,7-dicarboxamide has a molecular weight of 583.70 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-N,2-N,7-N,7-N-tetramethyl-10-(2H-tetrazol-5-yl)-9H-anthracene-2,7-dicarboxamide is sourced from PubChem (CID 70647452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).