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

C26H27N7O5 — CID 118173538

IUPAC4-[7-amino-3-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide
SMILESCOCC(=O)N1CCO[C@@H](c2nn(-c3ccc(C(=O)Nc4cc(OC)ccn4)cc3)c3c(N)nccc23)C1
InChIInChI=1S/C26H27N7O5/c1-36-15-22(34)32-11-12-38-20(14-32)23-19-8-10-29-25(27)24(19)33(31-23)17-5-3-16(4-6-17)26(35)30-21-13-18(37-2)7-9-28-21/h3-10,13,20H,11-12,14-15H2,1-2H3,(H2,27,29)(H,28,30,35)/t20-/m1/s1
InChIKeyWEUGVFUQYIWNJJ-HXUWFJFHSA-N
MW517.55 g/mol
LogP2.20
Rot. Bonds7

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

4-[7-amino-3-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide (PubChem CID 118173538) has the molecular formula C26H27N7O5 and a molecular weight of 517.55 g/mol. Its IUPAC name is 4-[7-amino-3-[(2R)-4-(2-methoxyacetyl)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-(2-methoxyacetyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide
PubChem CID118173538
Molecular FormulaC26H27N7O5
Molecular Weight517.55 g/mol
Exact Mass517.21
IUPAC Name4-[7-amino-3-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide
SMILESCOCC(=O)N1CCO[C@@H](c2nn(-c3ccc(C(=O)Nc4cc(OC)ccn4)cc3)c3c(N)nccc23)C1
InChIInChI=1S/C26H27N7O5/c1-36-15-22(34)32-11-12-38-20(14-32)23-19-8-10-29-25(27)24(19)33(31-23)17-5-3-16(4-6-17)26(35)30-21-13-18(37-2)7-9-28-21/h3-10,13,20H,11-12,14-15H2,1-2H3,(H2,27,29)(H,28,30,35)/t20-/m1/s1
InChIKeyWEUGVFUQYIWNJJ-HXUWFJFHSA-N
XLogP2.20
TPSA146.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.55
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-3-[(2R)-4-(2-methoxyacetyl)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-(2-methoxyacetyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide (CID 118173538) is 4-[7-amino-3-[(2R)-4-(2-methoxyacetyl)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-(2-methoxyacetyl)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-(2-methoxyacetyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide is COCC(=O)N1CCO[C@@H](c2nn(-c3ccc(C(=O)Nc4cc(OC)ccn4)cc3)c3c(N)nccc23)C1.
What is the InChIKey of 4-[7-amino-3-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide?
The InChIKey is WEUGVFUQYIWNJJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H27N7O5/c1-36-15-22(34)32-11-12-38-20(14-32)23-19-8-10-29-25(27)24(19)33(31-23)17-5-3-16(4-6-17)26(35)30-21-13-18(37-2)7-9-28-21/h3-10,13,20H,11-12,14-15H2,1-2H3,(H2,27,29)(H,28,30,35)/t20-/m1/s1.
What are the key properties of 4-[7-amino-3-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide?
4-[7-amino-3-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide has a molecular weight of 517.55 g/mol, XLogP of 2.20, 7 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-(2-methoxyacetyl)morpholin-2-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide is sourced from PubChem (CID 118173538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).