2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine

C27H33FN8O2 — CID 170324613

IUPAC2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine
SMILESCc1c(N2CCc3cnc(Nc4ccc(NCCN5CCOCC5)c(F)c4)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C27H33FN8O2/c1-18-24(16-31-26-25(18)30-6-11-38-26)36-7-4-19-15-32-27(34-23(19)17-36)33-20-2-3-22(21(28)14-20)29-5-8-35-9-12-37-13-10-35/h2-3,14-16,29-30H,4-13,17H2,1H3,(H,32,33,34)
InChIKeyDORGCNMZAGARAL-UHFFFAOYSA-N
MW520.61 g/mol
LogP3.17
Rot. Bonds7

About 2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine

2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine (PubChem CID 170324613) has the molecular formula C27H33FN8O2 and a molecular weight of 520.61 g/mol. Its IUPAC name is 2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine
PubChem CID170324613
Molecular FormulaC27H33FN8O2
Molecular Weight520.61 g/mol
Exact Mass520.27
IUPAC Name2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine
SMILESCc1c(N2CCc3cnc(Nc4ccc(NCCN5CCOCC5)c(F)c4)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C27H33FN8O2/c1-18-24(16-31-26-25(18)30-6-11-38-26)36-7-4-19-15-32-27(34-23(19)17-36)33-20-2-3-22(21(28)14-20)29-5-8-35-9-12-37-13-10-35/h2-3,14-16,29-30H,4-13,17H2,1H3,(H,32,33,34)
InChIKeyDORGCNMZAGARAL-UHFFFAOYSA-N
XLogP3.17
TPSA99.70 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.61
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

[2-fluoro-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]methyl-oxosulfanium
CID 174150883
1-N,2-dimethyl-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine
CID 170324306
N-(1,3-dihydro-2-benzothiophen-5-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 170585698
7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 170324755
N-[4-[(dimethylamino)methyl]phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 170324113
1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[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]benzene-1,4-diamine
CID 170324546
1-[2-chloro-4-[4-[2-[4-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 177362805
N-[2-fluoro-6-(methylsulfonylmethyl)-3-pyridinyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 175960709
1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]propan-2-ol
CID 175960699
N-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 177364745
3-[4-[4-[1-[2-[2-fluoro-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]acetyl]pyrrolidin-3-yl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 177362488
1-[4-[3-[(2S)-4-[2-[2-fluoro-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]acetyl]-2-methylpiperazin-1-yl]azetidin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 177364180

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine (CID 170324613) is 2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine is Cc1c(N2CCc3cnc(Nc4ccc(NCCN5CCOCC5)c(F)c4)nc3C2)cnc2c1NCCO2.
What is the InChIKey of 2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine?
The InChIKey is DORGCNMZAGARAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN8O2/c1-18-24(16-31-26-25(18)30-6-11-38-26)36-7-4-19-15-32-27(34-23(19)17-36)33-20-2-3-22(21(28)14-20)29-5-8-35-9-12-37-13-10-35/h2-3,14-16,29-30H,4-13,17H2,1H3,(H,32,33,34).
What are the key properties of 2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine?
2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine has a molecular weight of 520.61 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 170324613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).