7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one

C25H35N7O3 — CID 166167998

IUPAC7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3OC)nc2N1C(C)C
InChIInChI=1S/C25H35N7O3/c1-7-19-24(34)30(5)20-15-26-25(28-22(20)32(19)16(2)3)27-18-9-8-17(14-21(18)35-6)23(33)31-12-10-29(4)11-13-31/h8-9,14-16,19H,7,10-13H2,1-6H3,(H,26,27,28)
InChIKeyXLZUGQKDKHLQSZ-UHFFFAOYSA-N
MW481.60 g/mol
LogP2.59
Rot. Bonds6

About 7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one

7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one (PubChem CID 166167998) has the molecular formula C25H35N7O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one.

Molecular Properties

Compound Name7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one
PubChem CID166167998
Molecular FormulaC25H35N7O3
Molecular Weight481.60 g/mol
Exact Mass481.28
IUPAC Name7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3OC)nc2N1C(C)C
InChIInChI=1S/C25H35N7O3/c1-7-19-24(34)30(5)20-15-26-25(28-22(20)32(19)16(2)3)27-18-9-8-17(14-21(18)35-6)23(33)31-12-10-29(4)11-13-31/h8-9,14-16,19H,7,10-13H2,1-6H3,(H,26,27,28)
InChIKeyXLZUGQKDKHLQSZ-UHFFFAOYSA-N
XLogP2.59
TPSA94.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one with MolForge

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Related Compounds

4-[(7-ethyl-5-methyl-6-oxo-8-pentan-3-yl-7H-pteridin-2-yl)amino]-3-methoxybenzoic acid
CID 143660516
(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
2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 46843770
(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
(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
4-[[(7R)-7-ethyl-5-methyl-6-oxo-8-phenyl-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid
CID 59989659
(7R)-2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-2-methoxyanilino]-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
CID 171081944
4-[(9-butan-2-yl-5,7,8-trimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 163818079
13-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-2,9-dimethyl-6-thia-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
CID 90431734
10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 90431753
2-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58016003
4-[[(7R)-8-tert-butyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-iodopiperidin-4-yl)-3-methoxybenzamide
CID 145208012

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one?
The IUPAC name of 7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one (CID 166167998) is 7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one.
What is the SMILES notation for 7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one?
The canonical SMILES for 7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one is CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3OC)nc2N1C(C)C.
What is the InChIKey of 7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one?
The InChIKey is XLZUGQKDKHLQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O3/c1-7-19-24(34)30(5)20-15-26-25(28-22(20)32(19)16(2)3)27-18-9-8-17(14-21(18)35-6)23(33)31-12-10-29(4)11-13-31/h8-9,14-16,19H,7,10-13H2,1-6H3,(H,26,27,28).
What are the key properties of 7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one?
7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one has a molecular weight of 481.60 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5-methyl-8-propan-2-yl-7H-pteridin-6-one is sourced from PubChem (CID 166167998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).