(7S,13S)-7-amino-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaene-8,14-dione;(2S)-2-(difluoromethyl)cyclopropane-1-carboxylic acid;trans-(1S,2S)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide

C132H170F6N24O13S3 — CID 165080456

About (7S,13S)-7-amino-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaene-8,14-dione;(2S)-2-(difluoromethyl)cyclopropane-1-carboxylic acid;trans-(1S,2S)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide

(7S,13S)-7-amino-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaene-8,14-dione;(2S)-2-(difluoromethyl)cyclopropane-1-carboxylic acid;trans-(1S,2S)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide (PubChem CID 165080456) has the molecular formula C132H170F6N24O13S3 and a molecular weight of 2511.16 g/mol. Its IUPAC name is (7S,13S)-7-amino-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaene-8,14-dione;(2S)-2-(difluoromethyl)cyclopropane-1-carboxylic acid;trans-(1S,2S)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (7S,13S)-7-amino-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaene-8,14-dione;(2S)-2-(difluoromethyl)cyclopropane-1-carboxylic acid;trans-(1S,2S)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide
• PubChem CID: 165080456
• Molecular Formula: C132H170F6N24O13S3
• Molecular Weight: 2511.16 g/mol
• Exact Mass: 2509.24
• IUPAC Name: (7S,13S)-7-amino-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaene-8,14-dione;(2S)-2-(difluoromethyl)cyclopropane-1-carboxylic acid;trans-(1S,2S)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide
• SMILES: CCn1c(-c2cc(N3CCN(C)CC3)cnc2C(C)C)c2c3cc(ccc31)-c1csc(n1)C[C@H](N)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2.CCn1c(-c2cc(N3CCN(C)CC3)cnc2C(C)C)c2c3cc(ccc31)-c1csc(n1)C[C@H](NC(=O)[C@@H]1C[C@H]1C(F)F)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2.CCn1c(-c2cc(N3CCN(C)CC3)cnc2C(C)C)c2c3cc(ccc31)-c1csc(n1)C[C@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2.O=C(O)C1C[C@@H]1C(F)F
• InChI: InChI=1S/2C44H56F2N8O4S.C39H52N8O3S.C5H6F2O2/c2*1-7-53-36-11-10-26-17-28(36)32(39(53)31-18-27(22-47-38(31)25(2)3)52-15-13-51(6)14-16-52)21-44(4,5)24-58-43(57)33-9-8-12-54(50-33)42(56)34(20-37-48-35(26)23-59-37)49-41(55)30-19-29(30)40(45)46;1-7-46-33-11-10-25-17-27(33)29(36(46)28-18-26(21-41-35(28)24(2)3)45-15-13-44(6)14-16-45)20-39(4,5)23-50-38(49)31-9-8-12-47(43-31)37(48)30(40)19-34-42-32(25)22-51-34;6-4(7)2-1-3(2)5(8)9/h2*10-11,17-18,22-23,25,29-30,33-34,40,50H,7-9,12-16,19-21,24H2,1-6H3,(H,49,55);10-11,17-18,21-22,24,30-31,43H,7-9,12-16,19-20,23,40H2,1-6H3;2-4H,1H2,(H,8,9)/t29-,30-,33+,34+;29-,30-,33-,34-;30-,31-;2-,3?/m1000/s1
• InChIKey: VAGHXTPODHQOCK-SUCRTBHWSA-N
• XLogP: 18.73
• TPSA: 409.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 20
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2511.16
LogP ≤ 5	18.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7S,13S)-7-amino-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaene-8,14-dione;(2S)-2-(difluoromethyl)cyclopropane-1-carboxylic acid;trans-(1S,2S)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide?

The IUPAC name of (7S,13S)-7-amino-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaene-8,14-dione;(2S)-2-(difluoromethyl)cyclopropane-1-carboxylic acid;trans-(1S,2S)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide (CID 165080456) is (7S,13S)-7-amino-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaene-8,14-dione;(2S)-2-(difluoromethyl)cyclopropane-1-carboxylic acid;trans-(1S,2S)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for (7S,13S)-7-amino-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaene-8,14-dione;(2S)-2-(difluoromethyl)cyclopropane-1-carboxylic acid;trans-(1S,2S)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide?

The canonical SMILES for (7S,13S)-7-amino-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaene-8,14-dione;(2S)-2-(difluoromethyl)cyclopropane-1-carboxylic acid;trans-(1S,2S)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide is CCn1c(-c2cc(N3CCN(C)CC3)cnc2C(C)C)c2c3cc(ccc31)-c1csc(n1)C[C@H](N)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2.CCn1c(-c2cc(N3CCN(C)CC3)cnc2C(C)C)c2c3cc(ccc31)-c1csc(n1)C[C@H](NC(=O)[C@@H]1C[C@H]1C(F)F)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2.CCn1c(-c2cc(N3CCN(C)CC3)cnc2C(C)C)c2c3cc(ccc31)-c1csc(n1)C[C@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2.O=C(O)C1C[C@@H]1C(F)F.

What is the InChIKey of (7S,13S)-7-amino-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaene-8,14-dione;(2S)-2-(difluoromethyl)cyclopropane-1-carboxylic acid;trans-(1S,2S)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide?

The InChIKey is VAGHXTPODHQOCK-SUCRTBHWSA-N. The full InChI is InChI=1S/2C44H56F2N8O4S.C39H52N8O3S.C5H6F2O2/c2*1-7-53-36-11-10-26-17-28(36)32(39(53)31-18-27(22-47-38(31)25(2)3)52-15-13-51(6)14-16-52)21-44(4,5)24-58-43(57)33-9-8-12-54(50-33)42(56)34(20-37-48-35(26)23-59-37)49-41(55)30-19-29(30)40(45)46;1-7-46-33-11-10-25-17-27(33)29(36(46)28-18-26(21-41-35(28)24(2)3)45-15-13-44(6)14-16-45)20-39(4,5)23-50-38(49)31-9-8-12-47(43-31)37(48)30(40)19-34-42-32(25)22-51-34;6-4(7)2-1-3(2)5(8)9/h2*10-11,17-18,22-23,25,29-30,33-34,40,50H,7-9,12-16,19-21,24H2,1-6H3,(H,49,55);10-11,17-18,21-22,24,30-31,43H,7-9,12-16,19-20,23,40H2,1-6H3;2-4H,1H2,(H,8,9)/t29-,30-,33+,34+;29-,30-,33-,34-;30-,31-;2-,3?/m1000/s1.

What are the key properties of (7S,13S)-7-amino-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaene-8,14-dione;(2S)-2-(difluoromethyl)cyclopropane-1-carboxylic acid;trans-(1S,2S)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide?

(7S,13S)-7-amino-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaene-8,14-dione;(2S)-2-(difluoromethyl)cyclopropane-1-carboxylic acid;trans-(1S,2S)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide has a molecular weight of 2511.16 g/mol, XLogP of 18.73, 20 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (7S,13S)-7-amino-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaene-8,14-dione;(2S)-2-(difluoromethyl)cyclopropane-1-carboxylic acid;trans-(1S,2S)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(difluoromethyl)-N-[(7S,13S)-21-ethyl-17,17-dimethyl-20-[5-(4-methylpiperazin-1-yl)-2-propan-2-yl-3-pyridinyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 165080456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).