2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide

C22H23N7O4 — CID 57398329

IUPAC2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide
SMILESCOc1cc2ncnc(Oc3cnn(CC(=O)Nc4ccc(N(C)C)cn4)c3)c2cc1OC
InChIInChI=1S/C22H23N7O4/c1-28(2)14-5-6-20(23-9-14)27-21(30)12-29-11-15(10-26-29)33-22-16-7-18(31-3)19(32-4)8-17(16)24-13-25-22/h5-11,13H,12H2,1-4H3,(H,23,27,30)
InChIKeyDYSDUQPAIATDAA-UHFFFAOYSA-N
MW449.47 g/mol
LogP2.74
Rot. Bonds8

About 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide

2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide (PubChem CID 57398329) has the molecular formula C22H23N7O4 and a molecular weight of 449.47 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide
PubChem CID57398329
Molecular FormulaC22H23N7O4
Molecular Weight449.47 g/mol
Exact Mass449.18
IUPAC Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide
SMILESCOc1cc2ncnc(Oc3cnn(CC(=O)Nc4ccc(N(C)C)cn4)c3)c2cc1OC
InChIInChI=1S/C22H23N7O4/c1-28(2)14-5-6-20(23-9-14)27-21(30)12-29-11-15(10-26-29)33-22-16-7-18(31-3)19(32-4)8-17(16)24-13-25-22/h5-11,13H,12H2,1-4H3,(H,23,27,30)
InChIKeyDYSDUQPAIATDAA-UHFFFAOYSA-N
XLogP2.74
TPSA116.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide (CID 57398329) is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide is COc1cc2ncnc(Oc3cnn(CC(=O)Nc4ccc(N(C)C)cn4)c3)c2cc1OC.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide?
The InChIKey is DYSDUQPAIATDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O4/c1-28(2)14-5-6-20(23-9-14)27-21(30)12-29-11-15(10-26-29)33-22-16-7-18(31-3)19(32-4)8-17(16)24-13-25-22/h5-11,13H,12H2,1-4H3,(H,23,27,30).
What are the key properties of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide?
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide has a molecular weight of 449.47 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 57398329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).