(7R)-7-ethyl-2-[2-methoxy-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one

C30H46N8O3 — CID 11699748

IUPAC(7R)-7-ethyl-2-[2-methoxy-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(N4CCN(CCCN5CCOCC5)CC4)cc3OC)nc2N1C(C)C
InChIInChI=1S/C30H46N8O3/c1-6-25-29(39)34(4)26-21-31-30(33-28(26)38(25)22(2)3)32-24-9-8-23(20-27(24)40-5)37-14-12-35(13-15-37)10-7-11-36-16-18-41-19-17-36/h8-9,20-22,25H,6-7,10-19H2,1-5H3,(H,31,32,33)/t25-/m1/s1
InChIKeyFTAZIOKITWWMJR-RUZDIDTESA-N
MW566.75 g/mol
LogP3.04
Rot. Bonds10

About (7R)-7-ethyl-2-[2-methoxy-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one

(7R)-7-ethyl-2-[2-methoxy-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one (PubChem CID 11699748) has the molecular formula C30H46N8O3 and a molecular weight of 566.75 g/mol. Its IUPAC name is (7R)-7-ethyl-2-[2-methoxy-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-7-ethyl-2-[2-methoxy-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one
PubChem CID11699748
Molecular FormulaC30H46N8O3
Molecular Weight566.75 g/mol
Exact Mass566.37
IUPAC Name(7R)-7-ethyl-2-[2-methoxy-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(N4CCN(CCCN5CCOCC5)CC4)cc3OC)nc2N1C(C)C
InChIInChI=1S/C30H46N8O3/c1-6-25-29(39)34(4)26-21-31-30(33-28(26)38(25)22(2)3)32-24-9-8-23(20-27(24)40-5)37-14-12-35(13-15-37)10-7-11-36-16-18-41-19-17-36/h8-9,20-22,25H,6-7,10-19H2,1-5H3,(H,31,32,33)/t25-/m1/s1
InChIKeyFTAZIOKITWWMJR-RUZDIDTESA-N
XLogP3.04
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.75
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (7R)-7-ethyl-2-[2-methoxy-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7R)-7-ethyl-2-[4-[4-(3-hydroxypropyl)piperazin-1-yl]-2-methoxyanilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one
CID 11504228
7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one
CID 166167998
4-[(7-ethyl-5-methyl-6-oxo-8-pentan-3-yl-7H-pteridin-2-yl)amino]-3-methoxybenzoic acid
CID 143660516
4-[[(7R)-5,7-dimethyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide
CID 11157114
(7R)-2-[4-[(3R)-7-[4-(cyclopropylmethyl)piperazin-1-yl]-2-azadispiro[2.0.54.13]decane-1-carbonyl]-2-methoxyanilino]-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
CID 143522221
(7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
CID 58405428
8-cyclopentyl-7-ethyl-2-(2-methoxy-4-propan-2-ylanilino)-5-methyl-7H-pteridin-6-one
CID 171081017
4-[[(7R)-7-ethyl-5-methyl-6-oxo-8-phenyl-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid
CID 59989659
(7R)-2-(4-butan-2-yl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
CID 171081046
8-cyclopentyl-7-ethyl-2-[2-methoxy-4-[4-[(4-methylpiperazin-1-yl)methyl]triazol-1-yl]anilino]-5-methyl-7H-pteridin-6-one
CID 175603828
8-cyclopentyl-7-ethyl-2-(4-fluoro-2-methoxyanilino)-5-methyl-7H-pteridin-6-one
CID 171081446
8-chloro-3-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,11-dimethylpyrimido[5,4-b][1,4]benzodiazepin-6-one
CID 86268844

Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethyl-2-[2-methoxy-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one?
The IUPAC name of (7R)-7-ethyl-2-[2-methoxy-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one (CID 11699748) is (7R)-7-ethyl-2-[2-methoxy-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-7-ethyl-2-[2-methoxy-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one?
The canonical SMILES for (7R)-7-ethyl-2-[2-methoxy-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(N4CCN(CCCN5CCOCC5)CC4)cc3OC)nc2N1C(C)C.
What is the InChIKey of (7R)-7-ethyl-2-[2-methoxy-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one?
The InChIKey is FTAZIOKITWWMJR-RUZDIDTESA-N. The full InChI is InChI=1S/C30H46N8O3/c1-6-25-29(39)34(4)26-21-31-30(33-28(26)38(25)22(2)3)32-24-9-8-23(20-27(24)40-5)37-14-12-35(13-15-37)10-7-11-36-16-18-41-19-17-36/h8-9,20-22,25H,6-7,10-19H2,1-5H3,(H,31,32,33)/t25-/m1/s1.
What are the key properties of (7R)-7-ethyl-2-[2-methoxy-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one?
(7R)-7-ethyl-2-[2-methoxy-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one has a molecular weight of 566.75 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-ethyl-2-[2-methoxy-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one is sourced from PubChem (CID 11699748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).