N-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide

C40H35N9O4 — CID 134463049

IUPACN-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide
SMILESCOc1ccc(-n2nc(NC=O)c3c2C(=O)N(c2ccc(/N=N/c4ccc(N5CCc6c(C)nn(-c7ccc(C)cc7)c6C5=O)cc4)cc2)CC3)cc1
InChIInChI=1S/C40H35N9O4/c1-25-4-10-31(11-5-25)48-36-34(26(2)44-48)20-22-46(39(36)51)29-12-6-27(7-13-29)42-43-28-8-14-30(15-9-28)47-23-21-35-37(40(47)52)49(45-38(35)41-24-50)32-16-18-33(53-3)19-17-32/h4-19,24H,20-23H2,1-3H3,(H,41,45,50)/b43-42+
InChIKeyWTENVVDTOZIQMP-HBSCQBRPSA-N
MW705.78 g/mol
LogP7.07
Rot. Bonds9

About N-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide

N-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide (PubChem CID 134463049) has the molecular formula C40H35N9O4 and a molecular weight of 705.78 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide
PubChem CID134463049
Molecular FormulaC40H35N9O4
Molecular Weight705.78 g/mol
Exact Mass705.28
IUPAC NameN-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide
SMILESCOc1ccc(-n2nc(NC=O)c3c2C(=O)N(c2ccc(/N=N/c4ccc(N5CCc6c(C)nn(-c7ccc(C)cc7)c6C5=O)cc4)cc2)CC3)cc1
InChIInChI=1S/C40H35N9O4/c1-25-4-10-31(11-5-25)48-36-34(26(2)44-48)20-22-46(39(36)51)29-12-6-27(7-13-29)42-43-28-8-14-30(15-9-28)47-23-21-35-37(40(47)52)49(45-38(35)41-24-50)32-16-18-33(53-3)19-17-32/h4-19,24H,20-23H2,1-3H3,(H,41,45,50)/b43-42+
InChIKeyWTENVVDTOZIQMP-HBSCQBRPSA-N
XLogP7.07
TPSA139.31 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.78
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide (CID 134463049) is N-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide is COc1ccc(-n2nc(NC=O)c3c2C(=O)N(c2ccc(/N=N/c4ccc(N5CCc6c(C)nn(-c7ccc(C)cc7)c6C5=O)cc4)cc2)CC3)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide?
The InChIKey is WTENVVDTOZIQMP-HBSCQBRPSA-N. The full InChI is InChI=1S/C40H35N9O4/c1-25-4-10-31(11-5-25)48-36-34(26(2)44-48)20-22-46(39(36)51)29-12-6-27(7-13-29)42-43-28-8-14-30(15-9-28)47-23-21-35-37(40(47)52)49(45-38(35)41-24-50)32-16-18-33(53-3)19-17-32/h4-19,24H,20-23H2,1-3H3,(H,41,45,50)/b43-42+.
What are the key properties of N-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide?
N-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide has a molecular weight of 705.78 g/mol, XLogP of 7.07, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide is sourced from PubChem (CID 134463049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).