6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;methyl 2-methoxy-4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoyl]amino]benzoate;methyl 2-methoxy-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate

C70H74BClN14O10 — CID 158772002

About 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;methyl 2-methoxy-4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoyl]amino]benzoate;methyl 2-methoxy-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate

6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;methyl 2-methoxy-4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoyl]amino]benzoate;methyl 2-methoxy-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate (PubChem CID 158772002) has the molecular formula C70H74BClN14O10 and a molecular weight of 1317.71 g/mol. Its IUPAC name is 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;methyl 2-methoxy-4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoyl]amino]benzoate;methyl 2-methoxy-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate.

Molecular Properties

• Compound Name: 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;methyl 2-methoxy-4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoyl]amino]benzoate;methyl 2-methoxy-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate
• PubChem CID: 158772002
• Molecular Formula: C70H74BClN14O10
• Molecular Weight: 1317.71 g/mol
• Exact Mass: 1316.55
• IUPAC Name: 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;methyl 2-methoxy-4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoyl]amino]benzoate;methyl 2-methoxy-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate
• SMILES: CC1CCCN1c1cccc(Nc2cc(Cl)cn3ncnc23)n1.COC(=O)c1ccc(NC(=O)c2cccc(-c3cc(Nc4cccc(N5CCCC5C)n4)c4ncnn4c3)c2)cc1OC.COC(=O)c1ccc(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)cc1OC
• InChI: InChI=1S/C32H31N7O4.C22H26BNO6.C16H17ClN6/c1-20-7-6-14-38(20)29-11-5-10-28(37-29)36-26-16-23(18-39-30(26)33-19-34-39)21-8-4-9-22(15-21)31(40)35-24-12-13-25(32(41)43-3)27(17-24)42-2;1-21(2)22(3,4)30-23(29-21)15-9-7-8-14(12-15)19(25)24-16-10-11-17(20(26)28-6)18(13-16)27-5;1-11-4-3-7-22(11)15-6-2-5-14(21-15)20-13-8-12(17)9-23-16(13)18-10-19-23/h4-5,8-13,15-20H,6-7,14H2,1-3H3,(H,35,40)(H,36,37);7-13H,1-6H3,(H,24,25);2,5-6,8-11H,3-4,7H2,1H3,(H,20,21)
• InChIKey: IPZIPKHUSCBOFS-UHFFFAOYSA-N
• XLogP: 12.11
• TPSA: 264.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1317.71
LogP ≤ 5	12.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;methyl 2-methoxy-4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoyl]amino]benzoate;methyl 2-methoxy-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate?

The IUPAC name of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;methyl 2-methoxy-4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoyl]amino]benzoate;methyl 2-methoxy-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate (CID 158772002) is 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;methyl 2-methoxy-4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoyl]amino]benzoate;methyl 2-methoxy-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate.

What is the SMILES notation for 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;methyl 2-methoxy-4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoyl]amino]benzoate;methyl 2-methoxy-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate?

The canonical SMILES for 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;methyl 2-methoxy-4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoyl]amino]benzoate;methyl 2-methoxy-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate is CC1CCCN1c1cccc(Nc2cc(Cl)cn3ncnc23)n1.COC(=O)c1ccc(NC(=O)c2cccc(-c3cc(Nc4cccc(N5CCCC5C)n4)c4ncnn4c3)c2)cc1OC.COC(=O)c1ccc(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)cc1OC.

What is the InChIKey of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;methyl 2-methoxy-4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoyl]amino]benzoate;methyl 2-methoxy-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate?

The InChIKey is IPZIPKHUSCBOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N7O4.C22H26BNO6.C16H17ClN6/c1-20-7-6-14-38(20)29-11-5-10-28(37-29)36-26-16-23(18-39-30(26)33-19-34-39)21-8-4-9-22(15-21)31(40)35-24-12-13-25(32(41)43-3)27(17-24)42-2;1-21(2)22(3,4)30-23(29-21)15-9-7-8-14(12-15)19(25)24-16-10-11-17(20(26)28-6)18(13-16)27-5;1-11-4-3-7-22(11)15-6-2-5-14(21-15)20-13-8-12(17)9-23-16(13)18-10-19-23/h4-5,8-13,15-20H,6-7,14H2,1-3H3,(H,35,40)(H,36,37);7-13H,1-6H3,(H,24,25);2,5-6,8-11H,3-4,7H2,1H3,(H,20,21).

What are the key properties of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;methyl 2-methoxy-4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoyl]amino]benzoate;methyl 2-methoxy-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate?

6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;methyl 2-methoxy-4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoyl]amino]benzoate;methyl 2-methoxy-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate has a molecular weight of 1317.71 g/mol, XLogP of 12.11, 16 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;methyl 2-methoxy-4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoyl]amino]benzoate;methyl 2-methoxy-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate is sourced from PubChem (CID 158772002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).