(19R)-5-chloro-3-(2,2-difluoroethyl)-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)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-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)-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-(2,2-difluoroethyl)-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

C102H107ClF4N24O4 — CID 165034601

About (19R)-5-chloro-3-(2,2-difluoroethyl)-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)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-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)-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-(2,2-difluoroethyl)-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)-5-chloro-3-(2,2-difluoroethyl)-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)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-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)-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-(2,2-difluoroethyl)-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 (PubChem CID 165034601) has the molecular formula C102H107ClF4N24O4 and a molecular weight of 1844.59 g/mol. Its IUPAC name is (19R)-5-chloro-3-(2,2-difluoroethyl)-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)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-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)-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-(2,2-difluoroethyl)-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.

Molecular Properties

• Compound Name: (19R)-5-chloro-3-(2,2-difluoroethyl)-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)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-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)-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-(2,2-difluoroethyl)-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
• PubChem CID: 165034601
• Molecular Formula: C102H107ClF4N24O4
• Molecular Weight: 1844.59 g/mol
• Exact Mass: 1842.85
• IUPAC Name: (19R)-5-chloro-3-(2,2-difluoroethyl)-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)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-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)-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-(2,2-difluoroethyl)-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
• SMILES: Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(c(C)nn1CC(F)F)Cc1cn(C)nc1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(c(C)nn1CC1CC1)Cc1cc(C)nn1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(c(Cl)nn1CC(F)F)Cc1cn(C)nc1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(cnn1CC1CC1)Cc1cc(C)nn1-2
• InChI: InChI=1S/C27H30N6O.C26H28N6O.C25H26F2N6O.C24H23ClF2N6O/c1-15-5-8-24-23(9-15)18(4)34-25-11-20(13-29-27(25)28)26-22(12-21-10-16(2)30-33(21)24)17(3)31-32(26)14-19-6-7-19;1-15-4-7-23-22(8-15)17(3)33-24-11-20(12-28-26(24)27)25-19(10-21-9-16(2)30-32(21)23)13-29-31(25)14-18-5-6-18;1-13-5-6-18-20(7-13)15(3)34-21-9-16(10-29-25(21)28)24-19(8-17-11-32(4)31-23(17)18)14(2)30-33(24)12-22(26)27;1-12-4-5-16-17(6-12)13(2)34-19-8-14(9-29-24(19)28)22-18(7-15-10-32(3)30-21(15)16)23(25)31-33(22)11-20(26)27/h5,8-11,13,18-19H,6-7,12,14H2,1-4H3,(H2,28,29);4,7-9,11-13,17-18H,5-6,10,14H2,1-3H3,(H2,27,28);5-7,9-11,15,22H,8,12H2,1-4H3,(H2,28,29);4-6,8-10,13,20H,7,11H2,1-3H3,(H2,28,29)/t18-;17-;15-;13-/m1111/s1
• InChIKey: NEOVQHYUISRJLP-KUHJGSMGSA-N
• XLogP: 19.93
• TPSA: 335.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 8
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1844.59
LogP ≤ 5	19.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of (19R)-5-chloro-3-(2,2-difluoroethyl)-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)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-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)-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-(2,2-difluoroethyl)-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?

The IUPAC name of (19R)-5-chloro-3-(2,2-difluoroethyl)-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)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-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)-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-(2,2-difluoroethyl)-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 (CID 165034601) is (19R)-5-chloro-3-(2,2-difluoroethyl)-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)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-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)-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-(2,2-difluoroethyl)-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.

What is the SMILES notation for (19R)-5-chloro-3-(2,2-difluoroethyl)-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)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-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)-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-(2,2-difluoroethyl)-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?

The canonical SMILES for (19R)-5-chloro-3-(2,2-difluoroethyl)-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)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-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)-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-(2,2-difluoroethyl)-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 is Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(c(C)nn1CC(F)F)Cc1cn(C)nc1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(c(C)nn1CC1CC1)Cc1cc(C)nn1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(c(Cl)nn1CC(F)F)Cc1cn(C)nc1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(cnn1CC1CC1)Cc1cc(C)nn1-2.

What is the InChIKey of (19R)-5-chloro-3-(2,2-difluoroethyl)-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)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-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)-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-(2,2-difluoroethyl)-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?

The InChIKey is NEOVQHYUISRJLP-KUHJGSMGSA-N. The full InChI is InChI=1S/C27H30N6O.C26H28N6O.C25H26F2N6O.C24H23ClF2N6O/c1-15-5-8-24-23(9-15)18(4)34-25-11-20(13-29-27(25)28)26-22(12-21-10-16(2)30-33(21)24)17(3)31-32(26)14-19-6-7-19;1-15-4-7-23-22(8-15)17(3)33-24-11-20(12-28-26(24)27)25-19(10-21-9-16(2)30-32(21)23)13-29-31(25)14-18-5-6-18;1-13-5-6-18-20(7-13)15(3)34-21-9-16(10-29-25(21)28)24-19(8-17-11-32(4)31-23(17)18)14(2)30-33(24)12-22(26)27;1-12-4-5-16-17(6-12)13(2)34-19-8-14(9-29-24(19)28)22-18(7-15-10-32(3)30-21(15)16)23(25)31-33(22)11-20(26)27/h5,8-11,13,18-19H,6-7,12,14H2,1-4H3,(H2,28,29);4,7-9,11-13,17-18H,5-6,10,14H2,1-3H3,(H2,27,28);5-7,9-11,15,22H,8,12H2,1-4H3,(H2,28,29);4-6,8-10,13,20H,7,11H2,1-3H3,(H2,28,29)/t18-;17-;15-;13-/m1111/s1.

What are the key properties of (19R)-5-chloro-3-(2,2-difluoroethyl)-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)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-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)-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-(2,2-difluoroethyl)-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)-5-chloro-3-(2,2-difluoroethyl)-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)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-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)-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-(2,2-difluoroethyl)-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 has a molecular weight of 1844.59 g/mol, XLogP of 19.93, 8 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (19R)-5-chloro-3-(2,2-difluoroethyl)-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)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-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)-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-(2,2-difluoroethyl)-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 is sourced from PubChem (CID 165034601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).