2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one

C26H28N8O2 — CID 163291044

IUPAC2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one
SMILESCc1c(-c2ccc3cnc(Nc4cc5n(n4)CCN(C(C)C)C(=O)C5)nc3c2)cnc2c1NCCO2
InChIInChI=1S/C26H28N8O2/c1-15(2)33-7-8-34-19(12-23(33)35)11-22(32-34)31-26-29-13-18-5-4-17(10-21(18)30-26)20-14-28-25-24(16(20)3)27-6-9-36-25/h4-5,10-11,13-15,27H,6-9,12H2,1-3H3,(H,29,30,31,32)
InChIKeyWUOIVPUMYGPSJA-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.54
Rot. Bonds4

About 2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one

2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one (PubChem CID 163291044) has the molecular formula C26H28N8O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one.

Molecular Properties

Compound Name2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one
PubChem CID163291044
Molecular FormulaC26H28N8O2
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC Name2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one
SMILESCc1c(-c2ccc3cnc(Nc4cc5n(n4)CCN(C(C)C)C(=O)C5)nc3c2)cnc2c1NCCO2
InChIInChI=1S/C26H28N8O2/c1-15(2)33-7-8-34-19(12-23(33)35)11-22(32-34)31-26-29-13-18-5-4-17(10-21(18)30-26)20-14-28-25-24(16(20)3)27-6-9-36-25/h4-5,10-11,13-15,27H,6-9,12H2,1-3H3,(H,29,30,31,32)
InChIKeyWUOIVPUMYGPSJA-UHFFFAOYSA-N
XLogP3.54
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one?
The IUPAC name of 2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one (CID 163291044) is 2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one.
What is the SMILES notation for 2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one?
The canonical SMILES for 2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one is Cc1c(-c2ccc3cnc(Nc4cc5n(n4)CCN(C(C)C)C(=O)C5)nc3c2)cnc2c1NCCO2.
What is the InChIKey of 2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one?
The InChIKey is WUOIVPUMYGPSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O2/c1-15(2)33-7-8-34-19(12-23(33)35)11-22(32-34)31-26-29-13-18-5-4-17(10-21(18)30-26)20-14-28-25-24(16(20)3)27-6-9-36-25/h4-5,10-11,13-15,27H,6-9,12H2,1-3H3,(H,29,30,31,32).
What are the key properties of 2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one?
2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one has a molecular weight of 484.56 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one is sourced from PubChem (CID 163291044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).