N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C23H22N6O4S — CID 56943401

IUPACN-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccc(N3CCOCC3)nc2)cc1)c1cnc2[nH]ncc2c1
InChIInChI=1S/C23H22N6O4S/c30-23(18-11-17-14-27-28-22(17)25-13-18)26-12-16-1-3-19(4-2-16)34(31,32)20-5-6-21(24-15-20)29-7-9-33-10-8-29/h1-6,11,13-15H,7-10,12H2,(H,26,30)(H,25,27,28)
InChIKeyMVLYMZKQTXONKO-UHFFFAOYSA-N
MW478.53 g/mol
LogP1.95
Rot. Bonds6

About N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 56943401) has the molecular formula C23H22N6O4S and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID56943401
Molecular FormulaC23H22N6O4S
Molecular Weight478.53 g/mol
Exact Mass478.14
IUPAC NameN-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccc(N3CCOCC3)nc2)cc1)c1cnc2[nH]ncc2c1
InChIInChI=1S/C23H22N6O4S/c30-23(18-11-17-14-27-28-22(17)25-13-18)26-12-16-1-3-19(4-2-16)34(31,32)20-5-6-21(24-15-20)29-7-9-33-10-8-29/h1-6,11,13-15H,7-10,12H2,(H,26,30)(H,25,27,28)
InChIKeyMVLYMZKQTXONKO-UHFFFAOYSA-N
XLogP1.95
TPSA130.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[4-(Phenylsulfonyl)benzyl]-2h-Pyrazolo[3,4-B]pyridine-5-Carboxamide
CID 66610004
N-(4-{[3-(Trifluoromethyl)phenyl]sulfonyl}benzyl)-2h-Pyrazolo[3,4-B]pyridine-5-Carboxamide
CID 66613669
N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66609540
N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 71819152
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 66608900
N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 66609607
N-[[4-(4-aminopiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 66613641
N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 66613826
N-(4-(phenylsulfonyl)benzyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 68276866
N-[(4-quinolin-3-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 68277271
N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 68277440
N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 71727679

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 56943401) is N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccc(N3CCOCC3)nc2)cc1)c1cnc2[nH]ncc2c1.
What is the InChIKey of N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is MVLYMZKQTXONKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4S/c30-23(18-11-17-14-27-28-22(17)25-13-18)26-12-16-1-3-19(4-2-16)34(31,32)20-5-6-21(24-15-20)29-7-9-33-10-8-29/h1-6,11,13-15H,7-10,12H2,(H,26,30)(H,25,27,28).
What are the key properties of N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 56943401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).