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

C50H44F4N10O8 — CID 144843484

IUPAC6-[4-[3-[5-[3-carbamoyl-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopiperidin-1-yl]-2-methoxyphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1cc(N2CCCCC2=O)ccc1N1CCc2c(C(N)=O)nn(-c3cc(F)c(F)c(C4CCCN(c5ccc(N6CCc7c(C(N)=O)nn(-c8ccc(F)cc8F)c7C6=O)c(OC)c5)C4=O)c3)c2C1=O
InChIInChI=1S/C50H44F4N10O8/c1-71-38-23-26(59-16-4-3-7-40(59)65)9-12-36(38)61-18-14-30-42(46(55)66)57-63(44(30)49(61)69)28-21-32(41(54)34(53)22-28)29-6-5-17-60(48(29)68)27-10-13-37(39(24-27)72-2)62-19-15-31-43(47(56)67)58-64(45(31)50(62)70)35-11-8-25(51)20-33(35)52/h8-13,20-24,29H,3-7,14-19H2,1-2H3,(H2,55,66)(H2,56,67)
InChIKeyUQSLZZRXKPBNKF-UHFFFAOYSA-N
MW988.96 g/mol
LogP5.66
Rot. Bonds11

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

6-[4-[3-[5-[3-carbamoyl-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopiperidin-1-yl]-2-methoxyphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 144843484) has the molecular formula C50H44F4N10O8 and a molecular weight of 988.96 g/mol. Its IUPAC name is 6-[4-[3-[5-[3-carbamoyl-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopiperidin-1-yl]-2-methoxyphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[3-[5-[3-carbamoyl-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopiperidin-1-yl]-2-methoxyphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID144843484
Molecular FormulaC50H44F4N10O8
Molecular Weight988.96 g/mol
Exact Mass988.33
IUPAC Name6-[4-[3-[5-[3-carbamoyl-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopiperidin-1-yl]-2-methoxyphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1cc(N2CCCCC2=O)ccc1N1CCc2c(C(N)=O)nn(-c3cc(F)c(F)c(C4CCCN(c5ccc(N6CCc7c(C(N)=O)nn(-c8ccc(F)cc8F)c7C6=O)c(OC)c5)C4=O)c3)c2C1=O
InChIInChI=1S/C50H44F4N10O8/c1-71-38-23-26(59-16-4-3-7-40(59)65)9-12-36(38)61-18-14-30-42(46(55)66)57-63(44(30)49(61)69)28-21-32(41(54)34(53)22-28)29-6-5-17-60(48(29)68)27-10-13-37(39(24-27)72-2)62-19-15-31-43(47(56)67)58-64(45(31)50(62)70)35-11-8-25(51)20-33(35)52/h8-13,20-24,29H,3-7,14-19H2,1-2H3,(H2,55,66)(H2,56,67)
InChIKeyUQSLZZRXKPBNKF-UHFFFAOYSA-N
XLogP5.66
TPSA221.52 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500988.96
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]piperazin-1-yl]-2-methoxyphenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 177648550
US20240423977, Example I-8
CID 175664346
US20240423977, Example II-4
CID 175664349
US20240423977, Example II-5
CID 175664350
US20240423977, Example II-10
CID 175664352
US20240423977, Example II-16
CID 175664355
US20240423977, Example II-7
CID 175664358
US20240423977, Example I-27
CID 175664373
US20240423977, Example I-61
CID 175664405
US20240423977, Example I-62
CID 175664406
[2-(3-Fluorophenyl)-5-methylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;formaldehyde
CID 69725496
1-(3-Fluorophenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086886

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[5-[3-carbamoyl-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopiperidin-1-yl]-2-methoxyphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[3-[5-[3-carbamoyl-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopiperidin-1-yl]-2-methoxyphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 144843484) is 6-[4-[3-[5-[3-carbamoyl-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopiperidin-1-yl]-2-methoxyphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[3-[5-[3-carbamoyl-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopiperidin-1-yl]-2-methoxyphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[3-[5-[3-carbamoyl-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopiperidin-1-yl]-2-methoxyphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1cc(N2CCCCC2=O)ccc1N1CCc2c(C(N)=O)nn(-c3cc(F)c(F)c(C4CCCN(c5ccc(N6CCc7c(C(N)=O)nn(-c8ccc(F)cc8F)c7C6=O)c(OC)c5)C4=O)c3)c2C1=O.
What is the InChIKey of 6-[4-[3-[5-[3-carbamoyl-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopiperidin-1-yl]-2-methoxyphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is UQSLZZRXKPBNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44F4N10O8/c1-71-38-23-26(59-16-4-3-7-40(59)65)9-12-36(38)61-18-14-30-42(46(55)66)57-63(44(30)49(61)69)28-21-32(41(54)34(53)22-28)29-6-5-17-60(48(29)68)27-10-13-37(39(24-27)72-2)62-19-15-31-43(47(56)67)58-64(45(31)50(62)70)35-11-8-25(51)20-33(35)52/h8-13,20-24,29H,3-7,14-19H2,1-2H3,(H2,55,66)(H2,56,67).
What are the key properties of 6-[4-[3-[5-[3-carbamoyl-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopiperidin-1-yl]-2-methoxyphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[4-[3-[5-[3-carbamoyl-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopiperidin-1-yl]-2-methoxyphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 988.96 g/mol, XLogP of 5.66, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-[5-[3-carbamoyl-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopiperidin-1-yl]-2-methoxyphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 144843484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).