4-ethyl-5-methyl-2-[4-(2-methyl-4-pyridinyl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one

C24H26N6O — CID 71715915

IUPAC4-ethyl-5-methyl-2-[4-(2-methyl-4-pyridinyl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
SMILESCCc1nc(Nc2ccc(-c3ccnc(C)c3)cc2)nc2c1N(C)C(=O)C1CCCN21
InChIInChI=1S/C24H26N6O/c1-4-19-21-22(30-13-5-6-20(30)23(31)29(21)3)28-24(27-19)26-18-9-7-16(8-10-18)17-11-12-25-15(2)14-17/h7-12,14,20H,4-6,13H2,1-3H3,(H,26,27,28)
InChIKeyWADVAHJJOSXCBD-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.10
Rot. Bonds4

About 4-ethyl-5-methyl-2-[4-(2-methyl-4-pyridinyl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one

4-ethyl-5-methyl-2-[4-(2-methyl-4-pyridinyl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one (PubChem CID 71715915) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-[4-(2-methyl-4-pyridinyl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-[4-(2-methyl-4-pyridinyl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
PubChem CID71715915
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name4-ethyl-5-methyl-2-[4-(2-methyl-4-pyridinyl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
SMILESCCc1nc(Nc2ccc(-c3ccnc(C)c3)cc2)nc2c1N(C)C(=O)C1CCCN21
InChIInChI=1S/C24H26N6O/c1-4-19-21-22(30-13-5-6-20(30)23(31)29(21)3)28-24(27-19)26-18-9-7-16(8-10-18)17-11-12-25-15(2)14-17/h7-12,14,20H,4-6,13H2,1-3H3,(H,26,27,28)
InChIKeyWADVAHJJOSXCBD-UHFFFAOYSA-N
XLogP4.10
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-[4-(2-methyl-4-pyridinyl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
The IUPAC name of 4-ethyl-5-methyl-2-[4-(2-methyl-4-pyridinyl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one (CID 71715915) is 4-ethyl-5-methyl-2-[4-(2-methyl-4-pyridinyl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one.
What is the SMILES notation for 4-ethyl-5-methyl-2-[4-(2-methyl-4-pyridinyl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
The canonical SMILES for 4-ethyl-5-methyl-2-[4-(2-methyl-4-pyridinyl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one is CCc1nc(Nc2ccc(-c3ccnc(C)c3)cc2)nc2c1N(C)C(=O)C1CCCN21.
What is the InChIKey of 4-ethyl-5-methyl-2-[4-(2-methyl-4-pyridinyl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
The InChIKey is WADVAHJJOSXCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-4-19-21-22(30-13-5-6-20(30)23(31)29(21)3)28-24(27-19)26-18-9-7-16(8-10-18)17-11-12-25-15(2)14-17/h7-12,14,20H,4-6,13H2,1-3H3,(H,26,27,28).
What are the key properties of 4-ethyl-5-methyl-2-[4-(2-methyl-4-pyridinyl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
4-ethyl-5-methyl-2-[4-(2-methyl-4-pyridinyl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one has a molecular weight of 414.51 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-[4-(2-methyl-4-pyridinyl)anilino]-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one is sourced from PubChem (CID 71715915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).