4-[7-amino-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide

C28H29N7O5 — CID 118173586

IUPAC4-[7-amino-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide
SMILESCOc1ccnc(NC(=O)c2ccc(-n3nc([C@H]4CN(C(=O)C5(C)COC5)CCO4)c4ccnc(N)c43)cc2)c1
InChIInChI=1S/C28H29N7O5/c1-28(15-39-16-28)27(37)34-11-12-40-21(14-34)23-20-8-10-31-25(29)24(20)35(33-23)18-5-3-17(4-6-18)26(36)32-22-13-19(38-2)7-9-30-22/h3-10,13,21H,11-12,14-16H2,1-2H3,(H2,29,31)(H,30,32,36)/t21-/m1/s1
InChIKeyYWPUOGRCVDFYIY-OAQYLSRUSA-N
MW543.58 g/mol
LogP2.60
Rot. Bonds6

About 4-[7-amino-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide

4-[7-amino-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide (PubChem CID 118173586) has the molecular formula C28H29N7O5 and a molecular weight of 543.58 g/mol. Its IUPAC name is 4-[7-amino-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[7-amino-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide
PubChem CID118173586
Molecular FormulaC28H29N7O5
Molecular Weight543.58 g/mol
Exact Mass543.22
IUPAC Name4-[7-amino-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide
SMILESCOc1ccnc(NC(=O)c2ccc(-n3nc([C@H]4CN(C(=O)C5(C)COC5)CCO4)c4ccnc(N)c43)cc2)c1
InChIInChI=1S/C28H29N7O5/c1-28(15-39-16-28)27(37)34-11-12-40-21(14-34)23-20-8-10-31-25(29)24(20)35(33-23)18-5-3-17(4-6-18)26(36)32-22-13-19(38-2)7-9-30-22/h3-10,13,21H,11-12,14-16H2,1-2H3,(H2,29,31)(H,30,32,36)/t21-/m1/s1
InChIKeyYWPUOGRCVDFYIY-OAQYLSRUSA-N
XLogP2.60
TPSA146.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.58
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[7-amino-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide with MolForge

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyrazol-1-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 15958771
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 15958772
1-(4-benzoylpiperazin-1-yl)-2-[7-[3-[(dimethylamino)methyl]pyrazol-1-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 145949902
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 59693874
US9834554, Example 41
CID 122668802
4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)pyrazolo[1,5-a]pyridine-6-carboxamide
CID 71454074
US9834554, Example 2
CID 118173514
US9834554, Example 1
CID 118173532
US9834554, Example 4
CID 118173535
US9834554, Example 5
CID 118173563
US9834554, Example 3
CID 118173609
US9834554, Example 39
CID 122668766

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide?
The IUPAC name of 4-[7-amino-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide (CID 118173586) is 4-[7-amino-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[7-amino-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide?
The canonical SMILES for 4-[7-amino-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide is COc1ccnc(NC(=O)c2ccc(-n3nc([C@H]4CN(C(=O)C5(C)COC5)CCO4)c4ccnc(N)c43)cc2)c1.
What is the InChIKey of 4-[7-amino-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide?
The InChIKey is YWPUOGRCVDFYIY-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H29N7O5/c1-28(15-39-16-28)27(37)34-11-12-40-21(14-34)23-20-8-10-31-25(29)24(20)35(33-23)18-5-3-17(4-6-18)26(36)32-22-13-19(38-2)7-9-30-22/h3-10,13,21H,11-12,14-16H2,1-2H3,(H2,29,31)(H,30,32,36)/t21-/m1/s1.
What are the key properties of 4-[7-amino-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide?
4-[7-amino-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide has a molecular weight of 543.58 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-amino-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide is sourced from PubChem (CID 118173586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).