2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide

C21H24N6O — CID 138589175

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)CN4CCC5(CC4)CC5)nc3c2)cn1
InChIInChI=1S/C21H24N6O/c1-26-13-17(12-23-26)15-2-3-16-11-22-20(24-18(16)10-15)25-19(28)14-27-8-6-21(4-5-21)7-9-27/h2-3,10-13H,4-9,14H2,1H3,(H,22,24,25,28)
InChIKeyBPBWXXNHONERQV-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.84
Rot. Bonds4

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide (PubChem CID 138589175) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
PubChem CID138589175
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)CN4CCC5(CC4)CC5)nc3c2)cn1
InChIInChI=1S/C21H24N6O/c1-26-13-17(12-23-26)15-2-3-16-11-22-20(24-18(16)10-15)25-19(28)14-27-8-6-21(4-5-21)7-9-27/h2-3,10-13H,4-9,14H2,1H3,(H,22,24,25,28)
InChIKeyBPBWXXNHONERQV-UHFFFAOYSA-N
XLogP2.84
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide (CID 138589175) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide is Cn1cc(-c2ccc3cnc(NC(=O)CN4CCC5(CC4)CC5)nc3c2)cn1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide?
The InChIKey is BPBWXXNHONERQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26-13-17(12-23-26)15-2-3-16-11-22-20(24-18(16)10-15)25-19(28)14-27-8-6-21(4-5-21)7-9-27/h2-3,10-13H,4-9,14H2,1H3,(H,22,24,25,28).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide is sourced from PubChem (CID 138589175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).