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

C26H28N8O3 — CID 164607667

IUPAC6-(2-hydroxypropan-2-yl)-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one
SMILESCc1c(-c2ccc3cnc(Nc4cc5n(n4)CCN(C(C)(C)O)C(=O)C5)nc3c2)cnc2c1NCCO2
InChIInChI=1S/C26H28N8O3/c1-15-19(14-28-24-23(15)27-6-9-37-24)16-4-5-17-13-29-25(30-20(17)10-16)31-21-11-18-12-22(35)33(26(2,3)36)7-8-34(18)32-21/h4-5,10-11,13-14,27,36H,6-9,12H2,1-3H3,(H,29,30,31,32)
InChIKeyRRCLHCQJWCGDFY-UHFFFAOYSA-N
MW500.56 g/mol
LogP2.86
Rot. Bonds4

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

6-(2-hydroxypropan-2-yl)-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one (PubChem CID 164607667) has the molecular formula C26H28N8O3 and a molecular weight of 500.56 g/mol. Its IUPAC name is 6-(2-hydroxypropan-2-yl)-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one.

Molecular Properties

Compound Name6-(2-hydroxypropan-2-yl)-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one
PubChem CID164607667
Molecular FormulaC26H28N8O3
Molecular Weight500.56 g/mol
Exact Mass500.23
IUPAC Name6-(2-hydroxypropan-2-yl)-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one
SMILESCc1c(-c2ccc3cnc(Nc4cc5n(n4)CCN(C(C)(C)O)C(=O)C5)nc3c2)cnc2c1NCCO2
InChIInChI=1S/C26H28N8O3/c1-15-19(14-28-24-23(15)27-6-9-37-24)16-4-5-17-13-29-25(30-20(17)10-16)31-21-11-18-12-22(35)33(26(2,3)36)7-8-34(18)32-21/h4-5,10-11,13-14,27,36H,6-9,12H2,1-3H3,(H,29,30,31,32)
InChIKeyRRCLHCQJWCGDFY-UHFFFAOYSA-N
XLogP2.86
TPSA130.32 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-(2-hydroxypropan-2-yl)-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-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 6-(2-hydroxypropan-2-yl)-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one?
The IUPAC name of 6-(2-hydroxypropan-2-yl)-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one (CID 164607667) is 6-(2-hydroxypropan-2-yl)-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one.
What is the SMILES notation for 6-(2-hydroxypropan-2-yl)-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one?
The canonical SMILES for 6-(2-hydroxypropan-2-yl)-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one is Cc1c(-c2ccc3cnc(Nc4cc5n(n4)CCN(C(C)(C)O)C(=O)C5)nc3c2)cnc2c1NCCO2.
What is the InChIKey of 6-(2-hydroxypropan-2-yl)-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one?
The InChIKey is RRCLHCQJWCGDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O3/c1-15-19(14-28-24-23(15)27-6-9-37-24)16-4-5-17-13-29-25(30-20(17)10-16)31-21-11-18-12-22(35)33(26(2,3)36)7-8-34(18)32-21/h4-5,10-11,13-14,27,36H,6-9,12H2,1-3H3,(H,29,30,31,32).
What are the key properties of 6-(2-hydroxypropan-2-yl)-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one?
6-(2-hydroxypropan-2-yl)-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one has a molecular weight of 500.56 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxypropan-2-yl)-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-7,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-5-one is sourced from PubChem (CID 164607667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).