1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide

C48H48N12O8 — CID 158172058

IUPAC1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cnc(N5CC[C@@H](O)C5)cc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cnc(N5CC[C@H](O)C5)cc43)c2)C1=O
InChIInChI=1S/2C24H24N6O4/c2*1-28-10-8-24(34,23(28)33)7-5-15-3-2-4-16(11-15)30-19-12-20(29-9-6-17(31)14-29)26-13-18(19)21(27-30)22(25)32/h2*2-4,11-13,17,31,34H,6,8-10,14H2,1H3,(H2,25,32)/t17-,24+;17-,24-/m10/s1
InChIKeyFXOOPHUZMNWQLU-VEXGLFDNSA-N
MW920.99 g/mol
LogP0.07
Rot. Bonds6

About 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide

1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 158172058) has the molecular formula C48H48N12O8 and a molecular weight of 920.99 g/mol. Its IUPAC name is 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID158172058
Molecular FormulaC48H48N12O8
Molecular Weight920.99 g/mol
Exact Mass920.37
IUPAC Name1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cnc(N5CC[C@@H](O)C5)cc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cnc(N5CC[C@H](O)C5)cc43)c2)C1=O
InChIInChI=1S/2C24H24N6O4/c2*1-28-10-8-24(34,23(28)33)7-5-15-3-2-4-16(11-15)30-19-12-20(29-9-6-17(31)14-29)26-13-18(19)21(27-30)22(25)32/h2*2-4,11-13,17,31,34H,6,8-10,14H2,1H3,(H2,25,32)/t17-,24+;17-,24-/m10/s1
InChIKeyFXOOPHUZMNWQLU-VEXGLFDNSA-N
XLogP0.07
TPSA275.62 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500920.99
LogP ≤ 50.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-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

US9605005, Example 54
CID 117923543
US9605005, Example 53
CID 117912362
US9605005, Example 52
CID 117923525
US9605005, Example 63
CID 117912027
US9605005, Example 10
CID 117923567
US9605005, Example 129
CID 117911553
US9605005, Example 157
CID 117911625
US9605005, Example 120
CID 117911972
US9605005, Example 160
CID 117912045
US9605005, Example 138
CID 117912050
US9605005, Example 156
CID 117912113
US9605005, Example 130
CID 117912196

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide (CID 158172058) is 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide is CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cnc(N5CC[C@@H](O)C5)cc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cnc(N5CC[C@H](O)C5)cc43)c2)C1=O.
What is the InChIKey of 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is FXOOPHUZMNWQLU-VEXGLFDNSA-N. The full InChI is InChI=1S/2C24H24N6O4/c2*1-28-10-8-24(34,23(28)33)7-5-15-3-2-4-16(11-15)30-19-12-20(29-9-6-17(31)14-29)26-13-18(19)21(27-30)22(25)32/h2*2-4,11-13,17,31,34H,6,8-10,14H2,1H3,(H2,25,32)/t17-,24+;17-,24-/m10/s1.
What are the key properties of 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide?
1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 920.99 g/mol, XLogP of 0.07, 6 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 158172058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).