N-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(5-methyl-1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

About N-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(5-methyl-1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

N-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(5-methyl-1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 122508602) has the molecular formula C24H21N7O3 and a molecular weight of 455.48 g/mol. Its IUPAC name is N-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(5-methyl-1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name	N-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(5-methyl-1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID	122508602
Molecular Formula	C24H21N7O3
Molecular Weight	455.48 g/mol
Exact Mass	455.17
IUPAC Name	N-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(5-methyl-1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILES	Cc1[nH]ncc1-c1cnc2n[nH]c(C(=O)Nc3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)c2c1
InChI	InChI=1S/C24H21N7O3/c1-14-19(13-26-28-14)16-11-18-20(29-30-21(18)25-12-16)22(32)27-17-5-3-4-15(10-17)6-7-24(34)8-9-31(2)23(24)33/h3-5,10-13,34H,8-9H2,1-2H3,(H,26,28)(H,27,32)(H,25,29,30)/t24-/m0/s1
InChIKey	UOMLJDFCGSXNAD-DEOSSOPVSA-N
XLogP	1.85
TPSA	139.89 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.48
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(5-methyl-1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?

The IUPAC name of N-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(5-methyl-1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (CID 122508602) is N-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(5-methyl-1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(5-methyl-1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?

The canonical SMILES for N-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(5-methyl-1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is Cc1[nH]ncc1-c1cnc2n[nH]c(C(=O)Nc3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)c2c1.

What is the InChIKey of N-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(5-methyl-1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?

The InChIKey is UOMLJDFCGSXNAD-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21N7O3/c1-14-19(13-26-28-14)16-11-18-20(29-30-21(18)25-12-16)22(32)27-17-5-3-4-15(10-17)6-7-24(34)8-9-31(2)23(24)33/h3-5,10-13,34H,8-9H2,1-2H3,(H,26,28)(H,27,32)(H,25,29,30)/t24-/m0/s1.

What are the key properties of N-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(5-methyl-1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?

N-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(5-methyl-1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 455.48 g/mol, XLogP of 1.85, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(5-methyl-1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 122508602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).