(19R)-5-chloro-3-(cyclopropylmethyl)-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-cyclobutyl-16-fluoro-11,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine;3-(cyclopropylmethyl)-10-(difluoromethyl)-16-methyl-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;3-(cyclopropylmethyl)-10,16-dimethyl-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

C101H102ClF3N24O4 — CID 164957142

About (19R)-5-chloro-3-(cyclopropylmethyl)-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-cyclobutyl-16-fluoro-11,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine;3-(cyclopropylmethyl)-10-(difluoromethyl)-16-methyl-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;3-(cyclopropylmethyl)-10,16-dimethyl-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)-5-chloro-3-(cyclopropylmethyl)-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-cyclobutyl-16-fluoro-11,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine;3-(cyclopropylmethyl)-10-(difluoromethyl)-16-methyl-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;3-(cyclopropylmethyl)-10,16-dimethyl-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 (PubChem CID 164957142) has the molecular formula C101H102ClF3N24O4 and a molecular weight of 1808.54 g/mol. Its IUPAC name is (19R)-5-chloro-3-(cyclopropylmethyl)-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-cyclobutyl-16-fluoro-11,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine;3-(cyclopropylmethyl)-10-(difluoromethyl)-16-methyl-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;3-(cyclopropylmethyl)-10,16-dimethyl-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.

Molecular Properties

• Compound Name: (19R)-5-chloro-3-(cyclopropylmethyl)-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-cyclobutyl-16-fluoro-11,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine;3-(cyclopropylmethyl)-10-(difluoromethyl)-16-methyl-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;3-(cyclopropylmethyl)-10,16-dimethyl-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
• PubChem CID: 164957142
• Molecular Formula: C101H102ClF3N24O4
• Molecular Weight: 1808.54 g/mol
• Exact Mass: 1806.82
• IUPAC Name: (19R)-5-chloro-3-(cyclopropylmethyl)-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-cyclobutyl-16-fluoro-11,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine;3-(cyclopropylmethyl)-10-(difluoromethyl)-16-methyl-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;3-(cyclopropylmethyl)-10,16-dimethyl-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
• SMILES: C[C@H]1Oc2cc(cnc2N)-c2c(cnn2C2CCC2)Cc2cnn(C)c2-c2ccc(F)cc21.Cc1ccc2c(c1)COc1cc(cnc1N)-c1c(cnn1CC1CC1)Cc1cc(C(F)F)nn1-2.Cc1ccc2c(c1)COc1cc(cnc1N)-c1c(cnn1CC1CC1)Cc1cc(C)nn1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(c(Cl)nn1CC1CC1)Cc1cn(C)nc1-2
• InChI: InChI=1S/C26H27ClN6O.C25H24F2N6O.C25H25FN6O.C25H26N6O/c1-14-4-7-19-20(8-14)15(2)34-22-10-17(11-29-26(22)28)24-21(9-18-13-32(3)30-23(18)19)25(27)31-33(24)12-16-5-6-16;1-14-2-5-21-18(6-14)13-34-22-8-17(10-29-25(22)28)23-16(11-30-32(23)12-15-3-4-15)7-19-9-20(24(26)27)31-33(19)21;1-14-21-10-18(26)6-7-20(21)24-16(12-29-31(24)2)8-15-13-30-32(19-4-3-5-19)23(15)17-9-22(33-14)25(27)28-11-17;1-15-3-6-22-20(7-15)14-32-23-10-19(11-27-25(23)26)24-18(9-21-8-16(2)29-31(21)22)12-28-30(24)13-17-4-5-17/h4,7-8,10-11,13,15-16H,5-6,9,12H2,1-3H3,(H2,28,29);2,5-6,8-11,15,24H,3-4,7,12-13H2,1H3,(H2,28,29);6-7,9-14,19H,3-5,8H2,1-2H3,(H2,27,28);3,6-8,10-12,17H,4-5,9,13-14H2,1-2H3,(H2,26,27)/t15-;;14-;/m1.1./s1
• InChIKey: BIFZUQAVZRXOAV-ZZCKTVKYSA-N
• XLogP: 19.26
• TPSA: 335.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 8
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1808.54
LogP ≤ 5	19.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (19R)-5-chloro-3-(cyclopropylmethyl)-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-cyclobutyl-16-fluoro-11,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine;3-(cyclopropylmethyl)-10-(difluoromethyl)-16-methyl-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;3-(cyclopropylmethyl)-10,16-dimethyl-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?

The IUPAC name of (19R)-5-chloro-3-(cyclopropylmethyl)-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-cyclobutyl-16-fluoro-11,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine;3-(cyclopropylmethyl)-10-(difluoromethyl)-16-methyl-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;3-(cyclopropylmethyl)-10,16-dimethyl-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 (CID 164957142) is (19R)-5-chloro-3-(cyclopropylmethyl)-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-cyclobutyl-16-fluoro-11,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine;3-(cyclopropylmethyl)-10-(difluoromethyl)-16-methyl-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;3-(cyclopropylmethyl)-10,16-dimethyl-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.

What is the SMILES notation for (19R)-5-chloro-3-(cyclopropylmethyl)-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-cyclobutyl-16-fluoro-11,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine;3-(cyclopropylmethyl)-10-(difluoromethyl)-16-methyl-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;3-(cyclopropylmethyl)-10,16-dimethyl-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?

The canonical SMILES for (19R)-5-chloro-3-(cyclopropylmethyl)-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-cyclobutyl-16-fluoro-11,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine;3-(cyclopropylmethyl)-10-(difluoromethyl)-16-methyl-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;3-(cyclopropylmethyl)-10,16-dimethyl-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 is C[C@H]1Oc2cc(cnc2N)-c2c(cnn2C2CCC2)Cc2cnn(C)c2-c2ccc(F)cc21.Cc1ccc2c(c1)COc1cc(cnc1N)-c1c(cnn1CC1CC1)Cc1cc(C(F)F)nn1-2.Cc1ccc2c(c1)COc1cc(cnc1N)-c1c(cnn1CC1CC1)Cc1cc(C)nn1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(c(Cl)nn1CC1CC1)Cc1cn(C)nc1-2.

What is the InChIKey of (19R)-5-chloro-3-(cyclopropylmethyl)-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-cyclobutyl-16-fluoro-11,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine;3-(cyclopropylmethyl)-10-(difluoromethyl)-16-methyl-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;3-(cyclopropylmethyl)-10,16-dimethyl-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?

The InChIKey is BIFZUQAVZRXOAV-ZZCKTVKYSA-N. The full InChI is InChI=1S/C26H27ClN6O.C25H24F2N6O.C25H25FN6O.C25H26N6O/c1-14-4-7-19-20(8-14)15(2)34-22-10-17(11-29-26(22)28)24-21(9-18-13-32(3)30-23(18)19)25(27)31-33(24)12-16-5-6-16;1-14-2-5-21-18(6-14)13-34-22-8-17(10-29-25(22)28)23-16(11-30-32(23)12-15-3-4-15)7-19-9-20(24(26)27)31-33(19)21;1-14-21-10-18(26)6-7-20(21)24-16(12-29-31(24)2)8-15-13-30-32(19-4-3-5-19)23(15)17-9-22(33-14)25(27)28-11-17;1-15-3-6-22-20(7-15)14-32-23-10-19(11-27-25(23)26)24-18(9-21-8-16(2)29-31(21)22)12-28-30(24)13-17-4-5-17/h4,7-8,10-11,13,15-16H,5-6,9,12H2,1-3H3,(H2,28,29);2,5-6,8-11,15,24H,3-4,7,12-13H2,1H3,(H2,28,29);6-7,9-14,19H,3-5,8H2,1-2H3,(H2,27,28);3,6-8,10-12,17H,4-5,9,13-14H2,1-2H3,(H2,26,27)/t15-;;14-;/m1.1./s1.

What are the key properties of (19R)-5-chloro-3-(cyclopropylmethyl)-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-cyclobutyl-16-fluoro-11,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine;3-(cyclopropylmethyl)-10-(difluoromethyl)-16-methyl-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;3-(cyclopropylmethyl)-10,16-dimethyl-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)-5-chloro-3-(cyclopropylmethyl)-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-cyclobutyl-16-fluoro-11,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine;3-(cyclopropylmethyl)-10-(difluoromethyl)-16-methyl-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;3-(cyclopropylmethyl)-10,16-dimethyl-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 has a molecular weight of 1808.54 g/mol, XLogP of 19.26, 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-(cyclopropylmethyl)-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-cyclobutyl-16-fluoro-11,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine;3-(cyclopropylmethyl)-10-(difluoromethyl)-16-methyl-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;3-(cyclopropylmethyl)-10,16-dimethyl-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 is sourced from PubChem (CID 164957142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).