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

C23H24N6OS — CID 170585698

IUPACN-(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
SMILESCc1c(N2CCc3cnc(Nc4ccc5c(c4)CSC5)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C23H24N6OS/c1-14-20(10-25-22-21(14)24-5-7-30-22)29-6-4-15-9-26-23(28-19(15)11-29)27-18-3-2-16-12-31-13-17(16)8-18/h2-3,8-10,24H,4-7,11-13H2,1H3,(H,26,27,28)
InChIKeyUZIZJDNYIIEJCA-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.04
Rot. Bonds3

About 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

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 (PubChem CID 170585698) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID170585698
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC NameN-(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
SMILESCc1c(N2CCc3cnc(Nc4ccc5c(c4)CSC5)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C23H24N6OS/c1-14-20(10-25-22-21(14)24-5-7-30-22)29-6-4-15-9-26-23(28-19(15)11-29)27-18-3-2-16-12-31-13-17(16)8-18/h2-3,8-10,24H,4-7,11-13H2,1H3,(H,26,27,28)
InChIKeyUZIZJDNYIIEJCA-UHFFFAOYSA-N
XLogP4.04
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
[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-[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
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
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
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
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-[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
1-[2-methyl-4-[4-[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]piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 177362652
1-[2-methyl-4-[4-[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]phenoxy]piperidin-1-yl]piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 177364628
tert-butyl 7-[2-[[1,1-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3H-isoindol-5-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 170324158

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(N2CCc3cnc(Nc4ccc5c(c4)CSC5)nc3C2)cnc2c1NCCO2.
What is the InChIKey of 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?
The InChIKey is UZIZJDNYIIEJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-14-20(10-25-22-21(14)24-5-7-30-22)29-6-4-15-9-26-23(28-19(15)11-29)27-18-3-2-16-12-31-13-17(16)8-18/h2-3,8-10,24H,4-7,11-13H2,1H3,(H,26,27,28).
What are the key properties of 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?
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 has a molecular weight of 432.55 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170585698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).