N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide

C18H20N6O — CID 138587907

IUPACN-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide
SMILES[2H]C1([2H])CCC([2H])([2H])N1CC(=O)Nc1ncc2ccc(-c3cnn(C)c3)cc2n1
InChIInChI=1S/C18H20N6O/c1-23-11-15(10-20-23)13-4-5-14-9-19-18(21-16(14)8-13)22-17(25)12-24-6-2-3-7-24/h4-5,8-11H,2-3,6-7,12H2,1H3,(H,19,21,22,25)/i6D2,7D2
InChIKeyBJPFQCWUACJTIH-KXGHAPEVSA-N
MW340.42 g/mol
LogP2.06
Rot. Bonds4

About N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide

N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide (PubChem CID 138587907) has the molecular formula C18H20N6O and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide
PubChem CID138587907
Molecular FormulaC18H20N6O
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC NameN-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide
SMILES[2H]C1([2H])CCC([2H])([2H])N1CC(=O)Nc1ncc2ccc(-c3cnn(C)c3)cc2n1
InChIInChI=1S/C18H20N6O/c1-23-11-15(10-20-23)13-4-5-14-9-19-18(21-16(14)8-13)22-17(25)12-24-6-2-3-7-24/h4-5,8-11H,2-3,6-7,12H2,1H3,(H,19,21,22,25)/i6D2,7D2
InChIKeyBJPFQCWUACJTIH-KXGHAPEVSA-N
XLogP2.06
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138587464
2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138589175
(2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide
CID 138591844
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide
CID 138590788
1-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-3-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)propan-2-one
CID 158712365
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589540
2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138587369
1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one
CID 152879645
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138591284
2-[4-(difluoromethyl)piperidin-1-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138588097
2-(4-cyclopropylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 155241408
2-(4-hydroxypiperidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138590290

Frequently Asked Questions

What is the IUPAC name of N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide (CID 138587907) is N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide is [2H]C1([2H])CCC([2H])([2H])N1CC(=O)Nc1ncc2ccc(-c3cnn(C)c3)cc2n1.
What is the InChIKey of N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide?
The InChIKey is BJPFQCWUACJTIH-KXGHAPEVSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23-11-15(10-20-23)13-4-5-14-9-19-18(21-16(14)8-13)22-17(25)12-24-6-2-3-7-24/h4-5,8-11H,2-3,6-7,12H2,1H3,(H,19,21,22,25)/i6D2,7D2.
What are the key properties of N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide?
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide has a molecular weight of 340.42 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 138587907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).