N-[3-fluoro-4-(methylsulfonylmethyl)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

C23H25FN6O3S — CID 170324350

IUPACN-[3-fluoro-4-(methylsulfonylmethyl)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
SMILESCc1c(N2CCc3cnc(Nc4ccc(CS(C)(=O)=O)c(F)c4)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C23H25FN6O3S/c1-14-20(11-26-22-21(14)25-6-8-33-22)30-7-5-15-10-27-23(29-19(15)12-30)28-17-4-3-16(18(24)9-17)13-34(2,31)32/h3-4,9-11,25H,5-8,12-13H2,1-2H3,(H,27,28,29)
InChIKeyICWUKZGVCWQRNY-UHFFFAOYSA-N
MW484.56 g/mol
LogP2.97
Rot. Bonds5

About N-[3-fluoro-4-(methylsulfonylmethyl)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

N-[3-fluoro-4-(methylsulfonylmethyl)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 (PubChem CID 170324350) has the molecular formula C23H25FN6O3S and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[3-fluoro-4-(methylsulfonylmethyl)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.

Molecular Properties

Compound NameN-[3-fluoro-4-(methylsulfonylmethyl)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
PubChem CID170324350
Molecular FormulaC23H25FN6O3S
Molecular Weight484.56 g/mol
Exact Mass484.17
IUPAC NameN-[3-fluoro-4-(methylsulfonylmethyl)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
SMILESCc1c(N2CCc3cnc(Nc4ccc(CS(C)(=O)=O)c(F)c4)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C23H25FN6O3S/c1-14-20(11-26-22-21(14)25-6-8-33-22)30-7-5-15-10-27-23(29-19(15)12-30)28-17-4-3-16(18(24)9-17)13-34(2,31)32/h3-4,9-11,25H,5-8,12-13H2,1-2H3,(H,27,28,29)
InChIKeyICWUKZGVCWQRNY-UHFFFAOYSA-N
XLogP2.97
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-fluoro-4-(methylsulfonylmethyl)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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(methylsulfonylmethyl)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?
The IUPAC name of N-[3-fluoro-4-(methylsulfonylmethyl)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 170324350) is N-[3-fluoro-4-(methylsulfonylmethyl)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.
What is the SMILES notation for N-[3-fluoro-4-(methylsulfonylmethyl)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?
The canonical SMILES for N-[3-fluoro-4-(methylsulfonylmethyl)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 is Cc1c(N2CCc3cnc(Nc4ccc(CS(C)(=O)=O)c(F)c4)nc3C2)cnc2c1NCCO2.
What is the InChIKey of N-[3-fluoro-4-(methylsulfonylmethyl)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?
The InChIKey is ICWUKZGVCWQRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O3S/c1-14-20(11-26-22-21(14)25-6-8-33-22)30-7-5-15-10-27-23(29-19(15)12-30)28-17-4-3-16(18(24)9-17)13-34(2,31)32/h3-4,9-11,25H,5-8,12-13H2,1-2H3,(H,27,28,29).
What are the key properties of N-[3-fluoro-4-(methylsulfonylmethyl)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?
N-[3-fluoro-4-(methylsulfonylmethyl)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 has a molecular weight of 484.56 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(methylsulfonylmethyl)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 is sourced from PubChem (CID 170324350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).