6-[4-[3-[[4-[3-carbamoyl-7-oxo-6-[2,3,5,6-tetrahydroxy-4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3,5,6-tetrahydroxyphenoxy]methoxy]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C50H48N10O24 — CID 136657050

IUPAC6-[4-[3-[[4-[3-carbamoyl-7-oxo-6-[2,3,5,6-tetrahydroxy-4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3,5,6-tetrahydroxyphenoxy]methoxy]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4C(=O)C(O)(O)C(O)(O)C(O)(OCOc5c(O)c(O)c(-n6nc(C(N)=O)c7c6C(=O)N(c6c(O)c(O)c(N8CCCCC8=O)c(O)c6O)CC7)c(O)c5O)C4(O)O)cc2)CC3)cc1
InChIInChI=1S/C50H48N10O24/c1-82-22-11-9-21(10-12-22)59-28-23(26(53-59)42(51)70)13-16-55(44(28)72)19-5-7-20(8-6-19)58-46(74)47(75,76)48(77,78)49(79,50(58,80)81)84-18-83-41-39(68)37(66)32(38(67)40(41)69)60-29-24(27(54-60)43(52)71)14-17-57(45(29)73)31-35(64)33(62)30(34(63)36(31)65)56-15-3-2-4-25(56)61/h5-12,62-69,75-81H,2-4,13-18H2,1H3,(H2,51,70)(H2,52,71)
InChIKeyODDPSPZVNRUKAJ-UHFFFAOYSA-N
MW1172.98 g/mol
LogP-3.08
Rot. Bonds13

About 6-[4-[3-[[4-[3-carbamoyl-7-oxo-6-[2,3,5,6-tetrahydroxy-4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3,5,6-tetrahydroxyphenoxy]methoxy]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

6-[4-[3-[[4-[3-carbamoyl-7-oxo-6-[2,3,5,6-tetrahydroxy-4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3,5,6-tetrahydroxyphenoxy]methoxy]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 136657050) has the molecular formula C50H48N10O24 and a molecular weight of 1172.98 g/mol. Its IUPAC name is 6-[4-[3-[[4-[3-carbamoyl-7-oxo-6-[2,3,5,6-tetrahydroxy-4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3,5,6-tetrahydroxyphenoxy]methoxy]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[3-[[4-[3-carbamoyl-7-oxo-6-[2,3,5,6-tetrahydroxy-4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3,5,6-tetrahydroxyphenoxy]methoxy]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID136657050
Molecular FormulaC50H48N10O24
Molecular Weight1172.98 g/mol
Exact Mass1172.28
IUPAC Name6-[4-[3-[[4-[3-carbamoyl-7-oxo-6-[2,3,5,6-tetrahydroxy-4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3,5,6-tetrahydroxyphenoxy]methoxy]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4C(=O)C(O)(O)C(O)(O)C(O)(OCOc5c(O)c(O)c(-n6nc(C(N)=O)c7c6C(=O)N(c6c(O)c(O)c(N8CCCCC8=O)c(O)c6O)CC7)c(O)c5O)C4(O)O)cc2)CC3)cc1
InChIInChI=1S/C50H48N10O24/c1-82-22-11-9-21(10-12-22)59-28-23(26(53-59)42(51)70)13-16-55(44(28)72)19-5-7-20(8-6-19)58-46(74)47(75,76)48(77,78)49(79,50(58,80)81)84-18-83-41-39(68)37(66)32(38(67)40(41)69)60-29-24(27(54-60)43(52)71)14-17-57(45(29)73)31-35(64)33(62)30(34(63)36(31)65)56-15-3-2-4-25(56)61/h5-12,62-69,75-81H,2-4,13-18H2,1H3,(H2,51,70)(H2,52,71)
InChIKeyODDPSPZVNRUKAJ-UHFFFAOYSA-N
XLogP-3.08
TPSA534.20 Ų
H-Bond Donors17
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001172.98
LogP ≤ 5-3.08
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 6-[4-[3-[[4-[3-carbamoyl-7-oxo-6-[2,3,5,6-tetrahydroxy-4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3,5,6-tetrahydroxyphenoxy]methoxy]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Related Compounds

3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 158695238
N,N-dideuterio-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 25208012
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000389
1-(4-methoxyphenyl)-7-oxo-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 163543726
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 20816131
1-(4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086878
6-[4-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N-hydroxyanilino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 126495801
1-(2,4-dimethoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086903
1-(4-methoxyphenyl)-7-oxo-6-[4-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 59020077
2-(diethylamino)ethyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 175097306
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118087094
1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 144670144

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[[4-[3-carbamoyl-7-oxo-6-[2,3,5,6-tetrahydroxy-4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3,5,6-tetrahydroxyphenoxy]methoxy]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[3-[[4-[3-carbamoyl-7-oxo-6-[2,3,5,6-tetrahydroxy-4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3,5,6-tetrahydroxyphenoxy]methoxy]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 136657050) is 6-[4-[3-[[4-[3-carbamoyl-7-oxo-6-[2,3,5,6-tetrahydroxy-4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3,5,6-tetrahydroxyphenoxy]methoxy]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[3-[[4-[3-carbamoyl-7-oxo-6-[2,3,5,6-tetrahydroxy-4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3,5,6-tetrahydroxyphenoxy]methoxy]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[3-[[4-[3-carbamoyl-7-oxo-6-[2,3,5,6-tetrahydroxy-4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3,5,6-tetrahydroxyphenoxy]methoxy]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4C(=O)C(O)(O)C(O)(O)C(O)(OCOc5c(O)c(O)c(-n6nc(C(N)=O)c7c6C(=O)N(c6c(O)c(O)c(N8CCCCC8=O)c(O)c6O)CC7)c(O)c5O)C4(O)O)cc2)CC3)cc1.
What is the InChIKey of 6-[4-[3-[[4-[3-carbamoyl-7-oxo-6-[2,3,5,6-tetrahydroxy-4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3,5,6-tetrahydroxyphenoxy]methoxy]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is ODDPSPZVNRUKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48N10O24/c1-82-22-11-9-21(10-12-22)59-28-23(26(53-59)42(51)70)13-16-55(44(28)72)19-5-7-20(8-6-19)58-46(74)47(75,76)48(77,78)49(79,50(58,80)81)84-18-83-41-39(68)37(66)32(38(67)40(41)69)60-29-24(27(54-60)43(52)71)14-17-57(45(29)73)31-35(64)33(62)30(34(63)36(31)65)56-15-3-2-4-25(56)61/h5-12,62-69,75-81H,2-4,13-18H2,1H3,(H2,51,70)(H2,52,71).
What are the key properties of 6-[4-[3-[[4-[3-carbamoyl-7-oxo-6-[2,3,5,6-tetrahydroxy-4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3,5,6-tetrahydroxyphenoxy]methoxy]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[4-[3-[[4-[3-carbamoyl-7-oxo-6-[2,3,5,6-tetrahydroxy-4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3,5,6-tetrahydroxyphenoxy]methoxy]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 1172.98 g/mol, XLogP of -3.08, 13 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-[[4-[3-carbamoyl-7-oxo-6-[2,3,5,6-tetrahydroxy-4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3,5,6-tetrahydroxyphenoxy]methoxy]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 136657050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).