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

C49H50N10O6S2 — CID 155263575

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

N-tert-butyl-7-methoxy-8-[1-[3-[[7-methoxy-8-(1H-pyrazol-5-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-3-methylbutyl]pyrazol-4-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 155263575) has the molecular formula C49H50N10O6S2 and a molecular weight of 939.14 g/mol. Its IUPAC name is N-tert-butyl-7-methoxy-8-[1-[3-[[7-methoxy-8-(1H-pyrazol-5-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-3-methylbutyl]pyrazol-4-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-[1-[3-[[7-methoxy-8-(1H-pyrazol-5-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-3-methylbutyl]pyrazol-4-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
• PubChem CID: 155263575
• Molecular Formula: C49H50N10O6S2
• Molecular Weight: 939.14 g/mol
• Exact Mass: 938.34
• IUPAC Name: N-tert-butyl-7-methoxy-8-[1-[3-[[7-methoxy-8-(1H-pyrazol-5-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-3-methylbutyl]pyrazol-4-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
• SMILES: COc1cc2c(cc1-c1cnn(CCC(C)(C)N(C)C(=O)c3nn(-c4ccsc4)c4c3COc3cc(OC)c(-c5ccn[nH]5)cc3-4)c1)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1ccsc1)CO2
• InChI: InChI=1S/C49H50N10O6S2/c1-48(2,3)55(6)46(60)42-35-24-64-40-20-38(62-8)31(18-33(40)44(35)58(53-42)29-11-16-66-26-29)28-22-51-57(23-28)15-13-49(4,5)56(7)47(61)43-36-25-65-41-21-39(63-9)32(37-10-14-50-52-37)19-34(41)45(36)59(54-43)30-12-17-67-27-30/h10-12,14,16-23,26-27H,13,15,24-25H2,1-9H3,(H,50,52)
• InChIKey: SFIXNXJSFRSJGZ-UHFFFAOYSA-N
• XLogP: 9.38
• TPSA: 159.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	939.14
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-methoxy-8-[1-[3-[[7-methoxy-8-(1H-pyrazol-5-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-3-methylbutyl]pyrazol-4-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-[1-[3-[[7-methoxy-8-(1H-pyrazol-5-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-3-methylbutyl]pyrazol-4-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 155263575) is N-tert-butyl-7-methoxy-8-[1-[3-[[7-methoxy-8-(1H-pyrazol-5-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-3-methylbutyl]pyrazol-4-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-[1-[3-[[7-methoxy-8-(1H-pyrazol-5-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-3-methylbutyl]pyrazol-4-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-[1-[3-[[7-methoxy-8-(1H-pyrazol-5-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-3-methylbutyl]pyrazol-4-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is COc1cc2c(cc1-c1cnn(CCC(C)(C)N(C)C(=O)c3nn(-c4ccsc4)c4c3COc3cc(OC)c(-c5ccn[nH]5)cc3-4)c1)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1ccsc1)CO2.

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

The InChIKey is SFIXNXJSFRSJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H50N10O6S2/c1-48(2,3)55(6)46(60)42-35-24-64-40-20-38(62-8)31(18-33(40)44(35)58(53-42)29-11-16-66-26-29)28-22-51-57(23-28)15-13-49(4,5)56(7)47(61)43-36-25-65-41-21-39(63-9)32(37-10-14-50-52-37)19-34(41)45(36)59(54-43)30-12-17-67-27-30/h10-12,14,16-23,26-27H,13,15,24-25H2,1-9H3,(H,50,52).

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

N-tert-butyl-7-methoxy-8-[1-[3-[[7-methoxy-8-(1H-pyrazol-5-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-3-methylbutyl]pyrazol-4-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 939.14 g/mol, XLogP of 9.38, 12 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-7-methoxy-8-[1-[3-[[7-methoxy-8-(1H-pyrazol-5-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-methylamino]-3-methylbutyl]pyrazol-4-yl]-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 155263575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).