N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]pyrazine-2-carboxamide

C34H37N9O7 — CID 154564956

About N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]pyrazine-2-carboxamide

N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]pyrazine-2-carboxamide (PubChem CID 154564956) has the molecular formula C34H37N9O7 and a molecular weight of 683.73 g/mol. Its IUPAC name is N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]pyrazine-2-carboxamide
• PubChem CID: 154564956
• Molecular Formula: C34H37N9O7
• Molecular Weight: 683.73 g/mol
• Exact Mass: 683.28
• IUPAC Name: N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]pyrazine-2-carboxamide
• SMILES: CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3cnccn3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O
• InChI: InChI=1S/C34H37N9O7/c1-18(2)11-22-28(44)37-19(3)32-42-26(17-49-32)34(48)43-15-21(38-29(45)24-14-35-9-10-36-24)13-27(43)31(47)40-23(12-20-7-5-4-6-8-20)33-41-25(16-50-33)30(46)39-22/h4-10,14,16-19,21-23,27H,11-13,15H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)(H,40,47)/t19-,21+,22-,23+,27+/m1/s1
• InChIKey: ZVTOLNPPJUDTKC-NHPGZMOWSA-N
• XLogP: 1.90
• TPSA: 214.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.73
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]pyrazine-2-carboxamide (CID 154564956) is N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]pyrazine-2-carboxamide is CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3cnccn3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O.

What is the InChIKey of N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]pyrazine-2-carboxamide?

The InChIKey is ZVTOLNPPJUDTKC-NHPGZMOWSA-N. The full InChI is InChI=1S/C34H37N9O7/c1-18(2)11-22-28(44)37-19(3)32-42-26(17-49-32)34(48)43-15-21(38-29(45)24-14-35-9-10-36-24)13-27(43)31(47)40-23(12-20-7-5-4-6-8-20)33-41-25(16-50-33)30(46)39-22/h4-10,14,16-19,21-23,27H,11-13,15H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)(H,40,47)/t19-,21+,22-,23+,27+/m1/s1.

What are the key properties of N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]pyrazine-2-carboxamide?

N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]pyrazine-2-carboxamide has a molecular weight of 683.73 g/mol, XLogP of 1.90, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 154564956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).