N-tert-butyl-7-methoxy-8-[3-[2-[[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-2-methylpropyl]-1-methylpyrazol-5-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C50H52N10O6S2 — CID 155263709

About N-tert-butyl-7-methoxy-8-[3-[2-[[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-2-methylpropyl]-1-methylpyrazol-5-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N-tert-butyl-7-methoxy-8-[3-[2-[[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-2-methylpropyl]-1-methylpyrazol-5-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 155263709) has the molecular formula C50H52N10O6S2 and a molecular weight of 953.16 g/mol. Its IUPAC name is N-tert-butyl-7-methoxy-8-[3-[2-[[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-2-methylpropyl]-1-methylpyrazol-5-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-7-methoxy-8-[3-[2-[[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-2-methylpropyl]-1-methylpyrazol-5-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
• PubChem CID: 155263709
• Molecular Formula: C50H52N10O6S2
• Molecular Weight: 953.16 g/mol
• Exact Mass: 952.35
• IUPAC Name: N-tert-butyl-7-methoxy-8-[3-[2-[[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-2-methylpropyl]-1-methylpyrazol-5-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
• SMILES: COc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)N(C)C(C)(C)Cc3cc(-c4cc5c(cc4OC)OCc4c(C(=O)N(C)C(C)(C)C)nn(-c6ccsc6)c4-5)n(C)n3)nn1-c1ccsc1)CO2
• InChI: InChI=1S/C50H52N10O6S2/c1-49(2,3)56(7)47(61)43-35-24-66-42-22-40(64-11)32(20-34(42)46(35)60(53-43)30-14-17-68-27-30)38-18-28(51-58(38)9)23-50(4,5)57(8)48(62)44-36-25-65-41-21-39(63-10)31(37-12-15-55(6)52-37)19-33(41)45(36)59(54-44)29-13-16-67-26-29/h12-22,26-27H,23-25H2,1-11H3
• InChIKey: OCPLFUGCCPDBRR-UHFFFAOYSA-N
• XLogP: 9.08
• TPSA: 148.82 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	953.16
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-methoxy-8-[3-[2-[[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-2-methylpropyl]-1-methylpyrazol-5-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

The IUPAC name of N-tert-butyl-7-methoxy-8-[3-[2-[[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-2-methylpropyl]-1-methylpyrazol-5-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 155263709) is N-tert-butyl-7-methoxy-8-[3-[2-[[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-2-methylpropyl]-1-methylpyrazol-5-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

What is the SMILES notation for N-tert-butyl-7-methoxy-8-[3-[2-[[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-2-methylpropyl]-1-methylpyrazol-5-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

The canonical SMILES for N-tert-butyl-7-methoxy-8-[3-[2-[[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-2-methylpropyl]-1-methylpyrazol-5-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is COc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)N(C)C(C)(C)Cc3cc(-c4cc5c(cc4OC)OCc4c(C(=O)N(C)C(C)(C)C)nn(-c6ccsc6)c4-5)n(C)n3)nn1-c1ccsc1)CO2.

What is the InChIKey of N-tert-butyl-7-methoxy-8-[3-[2-[[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-2-methylpropyl]-1-methylpyrazol-5-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

The InChIKey is OCPLFUGCCPDBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H52N10O6S2/c1-49(2,3)56(7)47(61)43-35-24-66-42-22-40(64-11)32(20-34(42)46(35)60(53-43)30-14-17-68-27-30)38-18-28(51-58(38)9)23-50(4,5)57(8)48(62)44-36-25-65-41-21-39(63-10)31(37-12-15-55(6)52-37)19-33(41)45(36)59(54-44)29-13-16-67-26-29/h12-22,26-27H,23-25H2,1-11H3.

What are the key properties of N-tert-butyl-7-methoxy-8-[3-[2-[[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-2-methylpropyl]-1-methylpyrazol-5-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

N-tert-butyl-7-methoxy-8-[3-[2-[[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-2-methylpropyl]-1-methylpyrazol-5-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 953.16 g/mol, XLogP of 9.08, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-7-methoxy-8-[3-[2-[[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-2-methylpropyl]-1-methylpyrazol-5-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 155263709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).