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

C25H28F2N8O2 — CID 170324299

IUPAC6-(2,2-difluoroethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCc1c(N2CCc3cnc(Nc4cc5n(n4)CC(=O)N(CC(F)F)CC5)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C25H28F2N8O2/c1-15-19(11-30-25-24(15)28-4-7-37-25)33-5-2-16-10-29-21(8-17(16)12-33)31-22-9-18-3-6-34(13-20(26)27)23(36)14-35(18)32-22/h8-11,20,28H,2-7,12-14H2,1H3,(H,29,31,32)
InChIKeyQGKLOGMWRVCIPQ-UHFFFAOYSA-N
MW510.55 g/mol
LogP2.74
Rot. Bonds5

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

6-(2,2-difluoroethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (PubChem CID 170324299) has the molecular formula C25H28F2N8O2 and a molecular weight of 510.55 g/mol. Its IUPAC name is 6-(2,2-difluoroethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.

Molecular Properties

Compound Name6-(2,2-difluoroethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
PubChem CID170324299
Molecular FormulaC25H28F2N8O2
Molecular Weight510.55 g/mol
Exact Mass510.23
IUPAC Name6-(2,2-difluoroethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCc1c(N2CCc3cnc(Nc4cc5n(n4)CC(=O)N(CC(F)F)CC5)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C25H28F2N8O2/c1-15-19(11-30-25-24(15)28-4-7-37-25)33-5-2-16-10-29-21(8-17(16)12-33)31-22-9-18-3-6-34(13-20(26)27)23(36)14-35(18)32-22/h8-11,20,28H,2-7,12-14H2,1H3,(H,29,31,32)
InChIKeyQGKLOGMWRVCIPQ-UHFFFAOYSA-N
XLogP2.74
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The IUPAC name of 6-(2,2-difluoroethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (CID 170324299) is 6-(2,2-difluoroethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.
What is the SMILES notation for 6-(2,2-difluoroethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The canonical SMILES for 6-(2,2-difluoroethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is Cc1c(N2CCc3cnc(Nc4cc5n(n4)CC(=O)N(CC(F)F)CC5)cc3C2)cnc2c1NCCO2.
What is the InChIKey of 6-(2,2-difluoroethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The InChIKey is QGKLOGMWRVCIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N8O2/c1-15-19(11-30-25-24(15)28-4-7-37-25)33-5-2-16-10-29-21(8-17(16)12-33)31-22-9-18-3-6-34(13-20(26)27)23(36)14-35(18)32-22/h8-11,20,28H,2-7,12-14H2,1H3,(H,29,31,32).
What are the key properties of 6-(2,2-difluoroethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
6-(2,2-difluoroethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one has a molecular weight of 510.55 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is sourced from PubChem (CID 170324299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).