6-methyl-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]spiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one

C26H26N8O2 — CID 163291067

IUPAC6-methyl-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]spiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one
SMILESCc1c(-c2ccc3cnc(Nc4cc5n(n4)CC(=O)N(C)CC54CC4)nc3c2)cnc2c1NCCO2
InChIInChI=1S/C26H26N8O2/c1-15-18(12-28-24-23(15)27-7-8-36-24)16-3-4-17-11-29-25(30-19(17)9-16)31-21-10-20-26(5-6-26)14-33(2)22(35)13-34(20)32-21/h3-4,9-12,27H,5-8,13-14H2,1-2H3,(H,29,30,31,32)
InChIKeyRQNRPPIKVVXFQS-UHFFFAOYSA-N
MW482.55 g/mol
LogP3.25
Rot. Bonds3

About 6-methyl-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]spiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one

6-methyl-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]spiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one (PubChem CID 163291067) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 6-methyl-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]spiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one.

Molecular Properties

Compound Name6-methyl-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]spiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one
PubChem CID163291067
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name6-methyl-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]spiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one
SMILESCc1c(-c2ccc3cnc(Nc4cc5n(n4)CC(=O)N(C)CC54CC4)nc3c2)cnc2c1NCCO2
InChIInChI=1S/C26H26N8O2/c1-15-18(12-28-24-23(15)27-7-8-36-24)16-3-4-17-11-29-25(30-19(17)9-16)31-21-10-20-26(5-6-26)14-33(2)22(35)13-34(20)32-21/h3-4,9-12,27H,5-8,13-14H2,1-2H3,(H,29,30,31,32)
InChIKeyRQNRPPIKVVXFQS-UHFFFAOYSA-N
XLogP3.25
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-methyl-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]spiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]spiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one?
The IUPAC name of 6-methyl-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]spiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one (CID 163291067) is 6-methyl-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]spiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one.
What is the SMILES notation for 6-methyl-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]spiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one?
The canonical SMILES for 6-methyl-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]spiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one is Cc1c(-c2ccc3cnc(Nc4cc5n(n4)CC(=O)N(C)CC54CC4)nc3c2)cnc2c1NCCO2.
What is the InChIKey of 6-methyl-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]spiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one?
The InChIKey is RQNRPPIKVVXFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c1-15-18(12-28-24-23(15)27-7-8-36-24)16-3-4-17-11-29-25(30-19(17)9-16)31-21-10-20-26(5-6-26)14-33(2)22(35)13-34(20)32-21/h3-4,9-12,27H,5-8,13-14H2,1-2H3,(H,29,30,31,32).
What are the key properties of 6-methyl-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]spiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one?
6-methyl-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]spiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one has a molecular weight of 482.55 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]spiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one is sourced from PubChem (CID 163291067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).