4-cyclopropyl-1,3-dimethyl-6-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;4-cyclopropyl-1,3-dimethyl-6-(2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;methane

C45H56N10O4 — CID 160615812

IUPAC4-cyclopropyl-1,3-dimethyl-6-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;4-cyclopropyl-1,3-dimethyl-6-(2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;methane
SMILESC.C.CC1C(=O)N(C)c2ccc(N3C(=O)N(C)CC3c3ccccc3)nc2N1C1CC1.CC1C(=O)N(C)c2ccc(N3C(=O)NCC3c3ccccc3)nc2N1C1CC1
InChIInChI=1S/C22H25N5O2.C21H23N5O2.2CH4/c1-14-21(28)25(3)17-11-12-19(23-20(17)26(14)16-9-10-16)27-18(13-24(2)22(27)29)15-7-5-4-6-8-15;1-13-20(27)24(2)16-10-11-18(23-19(16)25(13)15-8-9-15)26-17(12-22-21(26)28)14-6-4-3-5-7-14;;/h4-8,11-12,14,16,18H,9-10,13H2,1-3H3;3-7,10-11,13,15,17H,8-9,12H2,1-2H3,(H,22,28);2*1H4
InChIKeyRGBNILMSKQPPCG-UHFFFAOYSA-N
MW801.01 g/mol
LogP6.99
Rot. Bonds6

About 4-cyclopropyl-1,3-dimethyl-6-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;4-cyclopropyl-1,3-dimethyl-6-(2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;methane

4-cyclopropyl-1,3-dimethyl-6-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;4-cyclopropyl-1,3-dimethyl-6-(2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;methane (PubChem CID 160615812) has the molecular formula C45H56N10O4 and a molecular weight of 801.01 g/mol. Its IUPAC name is 4-cyclopropyl-1,3-dimethyl-6-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;4-cyclopropyl-1,3-dimethyl-6-(2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;methane.

Molecular Properties

Compound Name4-cyclopropyl-1,3-dimethyl-6-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;4-cyclopropyl-1,3-dimethyl-6-(2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;methane
PubChem CID160615812
Molecular FormulaC45H56N10O4
Molecular Weight801.01 g/mol
Exact Mass800.45
IUPAC Name4-cyclopropyl-1,3-dimethyl-6-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;4-cyclopropyl-1,3-dimethyl-6-(2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;methane
SMILESC.C.CC1C(=O)N(C)c2ccc(N3C(=O)N(C)CC3c3ccccc3)nc2N1C1CC1.CC1C(=O)N(C)c2ccc(N3C(=O)NCC3c3ccccc3)nc2N1C1CC1
InChIInChI=1S/C22H25N5O2.C21H23N5O2.2CH4/c1-14-21(28)25(3)17-11-12-19(23-20(17)26(14)16-9-10-16)27-18(13-24(2)22(27)29)15-7-5-4-6-8-15;1-13-20(27)24(2)16-10-11-18(23-19(16)25(13)15-8-9-15)26-17(12-22-21(26)28)14-6-4-3-5-7-14;;/h4-8,11-12,14,16,18H,9-10,13H2,1-3H3;3-7,10-11,13,15,17H,8-9,12H2,1-2H3,(H,22,28);2*1H4
InChIKeyRGBNILMSKQPPCG-UHFFFAOYSA-N
XLogP6.99
TPSA128.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.01
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-cyclopropyl-1,3-dimethyl-6-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;4-cyclopropyl-1,3-dimethyl-6-(2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,3-dimethyl-6-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;4-cyclopropyl-1,3-dimethyl-6-(2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;methane?
The IUPAC name of 4-cyclopropyl-1,3-dimethyl-6-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;4-cyclopropyl-1,3-dimethyl-6-(2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;methane (CID 160615812) is 4-cyclopropyl-1,3-dimethyl-6-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;4-cyclopropyl-1,3-dimethyl-6-(2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;methane.
What is the SMILES notation for 4-cyclopropyl-1,3-dimethyl-6-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;4-cyclopropyl-1,3-dimethyl-6-(2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;methane?
The canonical SMILES for 4-cyclopropyl-1,3-dimethyl-6-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;4-cyclopropyl-1,3-dimethyl-6-(2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;methane is C.C.CC1C(=O)N(C)c2ccc(N3C(=O)N(C)CC3c3ccccc3)nc2N1C1CC1.CC1C(=O)N(C)c2ccc(N3C(=O)NCC3c3ccccc3)nc2N1C1CC1.
What is the InChIKey of 4-cyclopropyl-1,3-dimethyl-6-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;4-cyclopropyl-1,3-dimethyl-6-(2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;methane?
The InChIKey is RGBNILMSKQPPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2.C21H23N5O2.2CH4/c1-14-21(28)25(3)17-11-12-19(23-20(17)26(14)16-9-10-16)27-18(13-24(2)22(27)29)15-7-5-4-6-8-15;1-13-20(27)24(2)16-10-11-18(23-19(16)25(13)15-8-9-15)26-17(12-22-21(26)28)14-6-4-3-5-7-14;;/h4-8,11-12,14,16,18H,9-10,13H2,1-3H3;3-7,10-11,13,15,17H,8-9,12H2,1-2H3,(H,22,28);2*1H4.
What are the key properties of 4-cyclopropyl-1,3-dimethyl-6-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;4-cyclopropyl-1,3-dimethyl-6-(2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;methane?
4-cyclopropyl-1,3-dimethyl-6-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;4-cyclopropyl-1,3-dimethyl-6-(2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;methane has a molecular weight of 801.01 g/mol, XLogP of 6.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,3-dimethyl-6-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;4-cyclopropyl-1,3-dimethyl-6-(2-oxo-5-phenylimidazolidin-1-yl)-3H-pyrido[2,3-b]pyrazin-2-one;methane is sourced from PubChem (CID 160615812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).