6-[[(2R)-2-aminopropoxy]methyl]-2-methylindazol-4-amine;tert-butyl N-[3-[[(2R)-1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(14R)-6,14-dimethyl-16-oxo-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-21-yl]-N-methylcarbamate;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one

C82H101ClN28O11 — CID 165007714

About 6-[[(2R)-2-aminopropoxy]methyl]-2-methylindazol-4-amine;tert-butyl N-[3-[[(2R)-1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(14R)-6,14-dimethyl-16-oxo-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-21-yl]-N-methylcarbamate;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one

6-[[(2R)-2-aminopropoxy]methyl]-2-methylindazol-4-amine;tert-butyl N-[3-[[(2R)-1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(14R)-6,14-dimethyl-16-oxo-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-21-yl]-N-methylcarbamate;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one (PubChem CID 165007714) has the molecular formula C82H101ClN28O11 and a molecular weight of 1690.35 g/mol. Its IUPAC name is 6-[[(2R)-2-aminopropoxy]methyl]-2-methylindazol-4-amine;tert-butyl N-[3-[[(2R)-1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(14R)-6,14-dimethyl-16-oxo-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-21-yl]-N-methylcarbamate;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one.

Molecular Properties

• Compound Name: 6-[[(2R)-2-aminopropoxy]methyl]-2-methylindazol-4-amine;tert-butyl N-[3-[[(2R)-1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(14R)-6,14-dimethyl-16-oxo-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-21-yl]-N-methylcarbamate;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one
• PubChem CID: 165007714
• Molecular Formula: C82H101ClN28O11
• Molecular Weight: 1690.35 g/mol
• Exact Mass: 1688.79
• IUPAC Name: 6-[[(2R)-2-aminopropoxy]methyl]-2-methylindazol-4-amine;tert-butyl N-[3-[[(2R)-1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(14R)-6,14-dimethyl-16-oxo-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-21-yl]-N-methylcarbamate;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one
• SMILES: CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c3cn(C)nc3c1)N2.C[C@@H](N)COCc1cc(N)c2cn(C)nc2c1.C[C@@H]1COCc2cc(c3cn(C)nc3c2)Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(c3n2)C(=O)N1.C[C@H](COCc1cc(N)c2cn(C)nc2c1)NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12
• InChI: InChI=1S/C25H31ClN8O4.C25H30N8O4.C20H22N8O2.C12H18N4O/c1-14(12-37-13-15-7-18(27)17-11-32(5)31-19(17)8-15)29-23(35)16-10-28-34-21(9-20(26)30-22(16)34)33(6)24(36)38-25(2,3)4;1-14-12-36-13-15-7-18(17-11-31(5)30-19(17)8-15)28-20-9-21(32(6)24(35)37-25(2,3)4)33-22(29-20)16(10-26-33)23(34)27-14;1-11-9-30-10-12-4-15(14-8-27(3)26-16(14)5-12)24-17-6-18(21-2)28-19(25-17)13(7-22-28)20(29)23-11;1-8(13)6-17-7-9-3-11(14)10-5-16(2)15-12(10)4-9/h7-11,14H,12-13,27H2,1-6H3,(H,29,35);7-11,14H,12-13H2,1-6H3,(H,27,34)(H,28,29);4-8,11,21H,9-10H2,1-3H3,(H,23,29)(H,24,25);3-5,8H,6-7,13-14H2,1-2H3/t2*14-;11-;8-/m1111/s1
• InChIKey: JFLOPBYEZCIPIE-YIEMSKESSA-N
• XLogP: 10.01
• TPSA: 459.30 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 13
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1690.35
LogP ≤ 5	10.01
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-aminopropoxy]methyl]-2-methylindazol-4-amine;tert-butyl N-[3-[[(2R)-1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(14R)-6,14-dimethyl-16-oxo-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-21-yl]-N-methylcarbamate;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one?

The IUPAC name of 6-[[(2R)-2-aminopropoxy]methyl]-2-methylindazol-4-amine;tert-butyl N-[3-[[(2R)-1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(14R)-6,14-dimethyl-16-oxo-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-21-yl]-N-methylcarbamate;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one (CID 165007714) is 6-[[(2R)-2-aminopropoxy]methyl]-2-methylindazol-4-amine;tert-butyl N-[3-[[(2R)-1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(14R)-6,14-dimethyl-16-oxo-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-21-yl]-N-methylcarbamate;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one.

What is the SMILES notation for 6-[[(2R)-2-aminopropoxy]methyl]-2-methylindazol-4-amine;tert-butyl N-[3-[[(2R)-1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(14R)-6,14-dimethyl-16-oxo-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-21-yl]-N-methylcarbamate;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one?

The canonical SMILES for 6-[[(2R)-2-aminopropoxy]methyl]-2-methylindazol-4-amine;tert-butyl N-[3-[[(2R)-1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(14R)-6,14-dimethyl-16-oxo-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-21-yl]-N-methylcarbamate;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one is CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c3cn(C)nc3c1)N2.C[C@@H](N)COCc1cc(N)c2cn(C)nc2c1.C[C@@H]1COCc2cc(c3cn(C)nc3c2)Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(c3n2)C(=O)N1.C[C@H](COCc1cc(N)c2cn(C)nc2c1)NC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.

What is the InChIKey of 6-[[(2R)-2-aminopropoxy]methyl]-2-methylindazol-4-amine;tert-butyl N-[3-[[(2R)-1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(14R)-6,14-dimethyl-16-oxo-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-21-yl]-N-methylcarbamate;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one?

The InChIKey is JFLOPBYEZCIPIE-YIEMSKESSA-N. The full InChI is InChI=1S/C25H31ClN8O4.C25H30N8O4.C20H22N8O2.C12H18N4O/c1-14(12-37-13-15-7-18(27)17-11-32(5)31-19(17)8-15)29-23(35)16-10-28-34-21(9-20(26)30-22(16)34)33(6)24(36)38-25(2,3)4;1-14-12-36-13-15-7-18(17-11-31(5)30-19(17)8-15)28-20-9-21(32(6)24(35)37-25(2,3)4)33-22(29-20)16(10-26-33)23(34)27-14;1-11-9-30-10-12-4-15(14-8-27(3)26-16(14)5-12)24-17-6-18(21-2)28-19(25-17)13(7-22-28)20(29)23-11;1-8(13)6-17-7-9-3-11(14)10-5-16(2)15-12(10)4-9/h7-11,14H,12-13,27H2,1-6H3,(H,29,35);7-11,14H,12-13H2,1-6H3,(H,27,34)(H,28,29);4-8,11,21H,9-10H2,1-3H3,(H,23,29)(H,24,25);3-5,8H,6-7,13-14H2,1-2H3/t2*14-;11-;8-/m1111/s1.

What are the key properties of 6-[[(2R)-2-aminopropoxy]methyl]-2-methylindazol-4-amine;tert-butyl N-[3-[[(2R)-1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(14R)-6,14-dimethyl-16-oxo-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-21-yl]-N-methylcarbamate;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one?

6-[[(2R)-2-aminopropoxy]methyl]-2-methylindazol-4-amine;tert-butyl N-[3-[[(2R)-1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(14R)-6,14-dimethyl-16-oxo-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-21-yl]-N-methylcarbamate;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one has a molecular weight of 1690.35 g/mol, XLogP of 10.01, 13 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(2R)-2-aminopropoxy]methyl]-2-methylindazol-4-amine;tert-butyl N-[3-[[(2R)-1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(14R)-6,14-dimethyl-16-oxo-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-21-yl]-N-methylcarbamate;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,6,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one is sourced from PubChem (CID 165007714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).