(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine

C102H110Cl2N24O4 — CID 164973505

About (19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine

(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine (PubChem CID 164973505) has the molecular formula C102H110Cl2N24O4 and a molecular weight of 1807.07 g/mol. Its IUPAC name is (19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine.

Molecular Properties

• Compound Name: (19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine
• PubChem CID: 164973505
• Molecular Formula: C102H110Cl2N24O4
• Molecular Weight: 1807.07 g/mol
• Exact Mass: 1804.85
• IUPAC Name: (19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine
• SMILES: CCn1nc(Cl)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(C)ccc1-c1nn(C)cc1C2.CCn1nc(Cl)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(C)ccc1-n1nc(C)cc1C2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(CC3CC3)nn(C)c1Cc1cn(C)nc1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(c(C)nn1CC1CC1)Cc1cn(C)nc1-2
• InChI: InChI=1S/2C27H30N6O.2C24H25ClN6O/c1-15-5-8-20-21(9-15)16(2)34-24-12-18(13-29-27(24)28)25-22(10-17-6-7-17)30-33(4)23(25)11-19-14-32(3)31-26(19)20;1-15-5-8-21-23(9-15)17(3)34-24-11-19(12-29-27(24)28)26-22(10-20-14-32(4)31-25(20)21)16(2)30-33(26)13-18-6-7-18;1-5-31-22-15-10-20(24(26)27-11-15)32-14(3)18-8-13(2)6-7-17(18)21-16(12-30(4)28-21)9-19(22)23(25)29-31;1-5-30-22-16-10-21(24(26)27-12-16)32-15(4)18-8-13(2)6-7-20(18)31-17(9-14(3)28-31)11-19(22)23(25)29-30/h5,8-9,12-14,16-17H,6-7,10-11H2,1-4H3,(H2,28,29);5,8-9,11-12,14,17-18H,6-7,10,13H2,1-4H3,(H2,28,29);6-8,10-12,14H,5,9H2,1-4H3,(H2,26,27);6-10,12,15H,5,11H2,1-4H3,(H2,26,27)/t16-;17-;14-;15-/m1111/s1
• InChIKey: DLIMLFVLKPIGLT-FBRYRMGLSA-N
• XLogP: 19.77
• TPSA: 335.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 6
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1807.07
LogP ≤ 5	19.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of (19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine?

The IUPAC name of (19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine (CID 164973505) is (19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine.

What is the SMILES notation for (19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine?

The canonical SMILES for (19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine is CCn1nc(Cl)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(C)ccc1-c1nn(C)cc1C2.CCn1nc(Cl)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(C)ccc1-n1nc(C)cc1C2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(CC3CC3)nn(C)c1Cc1cn(C)nc1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(c(C)nn1CC1CC1)Cc1cn(C)nc1-2.

What is the InChIKey of (19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine?

The InChIKey is DLIMLFVLKPIGLT-FBRYRMGLSA-N. The full InChI is InChI=1S/2C27H30N6O.2C24H25ClN6O/c1-15-5-8-20-21(9-15)16(2)34-24-12-18(13-29-27(24)28)25-22(10-17-6-7-17)30-33(4)23(25)11-19-14-32(3)31-26(19)20;1-15-5-8-21-23(9-15)17(3)34-24-11-19(12-29-27(24)28)26-22(10-20-14-32(4)31-25(20)21)16(2)30-33(26)13-18-6-7-18;1-5-31-22-15-10-20(24(26)27-11-15)32-14(3)18-8-13(2)6-7-17(18)21-16(12-30(4)28-21)9-19(22)23(25)29-31;1-5-30-22-16-10-21(24(26)27-12-16)32-15(4)18-8-13(2)6-7-20(18)31-17(9-14(3)28-31)11-19(22)23(25)29-30/h5,8-9,12-14,16-17H,6-7,10-11H2,1-4H3,(H2,28,29);5,8-9,11-12,14,17-18H,6-7,10,13H2,1-4H3,(H2,28,29);6-8,10-12,14H,5,9H2,1-4H3,(H2,26,27);6-10,12,15H,5,11H2,1-4H3,(H2,26,27)/t16-;17-;14-;15-/m1111/s1.

What are the key properties of (19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine?

(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine has a molecular weight of 1807.07 g/mol, XLogP of 19.77, 6 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-5-chloro-3-ethyl-10,16,19-trimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine is sourced from PubChem (CID 164973505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).