8-methyl-7-[2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one;molecular hydrogen

C24H30N8O2 — CID 170585600

IUPAC8-methyl-7-[2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one;molecular hydrogen
SMILESCc1c(N2CCc3cnc(Nc4cnc5c(c4)CN(C)CC5)nc3C2)cnc2c1NC(=O)CO2.[H][H].[H][H]
InChIInChI=1S/C24H26N8O2.2H2/c1-14-20(10-26-23-22(14)30-21(33)13-34-23)32-6-3-15-8-27-24(29-19(15)12-32)28-17-7-16-11-31(2)5-4-18(16)25-9-17;;/h7-10H,3-6,11-13H2,1-2H3,(H,30,33)(H,27,28,29);2*1H
InChIKeySWARNAFXMZITPB-UHFFFAOYSA-N
MW462.56 g/mol
LogP2.69
Rot. Bonds3

About 8-methyl-7-[2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one;molecular hydrogen

8-methyl-7-[2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one;molecular hydrogen (PubChem CID 170585600) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 8-methyl-7-[2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one;molecular hydrogen.

Molecular Properties

Compound Name8-methyl-7-[2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one;molecular hydrogen
PubChem CID170585600
Molecular FormulaC24H30N8O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC Name8-methyl-7-[2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one;molecular hydrogen
SMILESCc1c(N2CCc3cnc(Nc4cnc5c(c4)CN(C)CC5)nc3C2)cnc2c1NC(=O)CO2.[H][H].[H][H]
InChIInChI=1S/C24H26N8O2.2H2/c1-14-20(10-26-23-22(14)30-21(33)13-34-23)32-6-3-15-8-27-24(29-19(15)12-32)28-17-7-16-11-31(2)5-4-18(16)25-9-17;;/h7-10H,3-6,11-13H2,1-2H3,(H,30,33)(H,27,28,29);2*1H
InChIKeySWARNAFXMZITPB-UHFFFAOYSA-N
XLogP2.69
TPSA108.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 170324066
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
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
[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-[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
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
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-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
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
7-(11-methyl-4,6-dioxa-2,8-diazatricyclo[5.4.0.03,5]undeca-1(11),7,9-trien-10-yl)-N-[4-(methylsulfonylmethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 170585746
tert-butyl 8-methyl-7-[2-[4-(4-methylpiperazin-1-yl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 170324402
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

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one;molecular hydrogen?
The IUPAC name of 8-methyl-7-[2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one;molecular hydrogen (CID 170585600) is 8-methyl-7-[2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one;molecular hydrogen.
What is the SMILES notation for 8-methyl-7-[2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one;molecular hydrogen?
The canonical SMILES for 8-methyl-7-[2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one;molecular hydrogen is Cc1c(N2CCc3cnc(Nc4cnc5c(c4)CN(C)CC5)nc3C2)cnc2c1NC(=O)CO2.[H][H].[H][H].
What is the InChIKey of 8-methyl-7-[2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one;molecular hydrogen?
The InChIKey is SWARNAFXMZITPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2.2H2/c1-14-20(10-26-23-22(14)30-21(33)13-34-23)32-6-3-15-8-27-24(29-19(15)12-32)28-17-7-16-11-31(2)5-4-18(16)25-9-17;;/h7-10H,3-6,11-13H2,1-2H3,(H,30,33)(H,27,28,29);2*1H.
What are the key properties of 8-methyl-7-[2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one;molecular hydrogen?
8-methyl-7-[2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one;molecular hydrogen has a molecular weight of 462.56 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one;molecular hydrogen is sourced from PubChem (CID 170585600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).