1-cyclopropyl-3-[8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]urea

C25H24N6O3 — CID 154657504

IUPAC1-cyclopropyl-3-[8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]urea
SMILESCC(C)n1cc(-c2nc3c(=O)c(NC(=O)NC4CC4)c[nH]c3nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C25H24N6O3/c1-14(2)31-13-16(8-11-19(31)32)21-20(15-6-4-3-5-7-15)30-24-22(29-21)23(33)18(12-26-24)28-25(34)27-17-9-10-17/h3-8,11-14,17H,9-10H2,1-2H3,(H,26,30,33)(H2,27,28,34)
InChIKeyGTULHJCMXKIWFW-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.68
Rot. Bonds5

About 1-cyclopropyl-3-[8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]urea

1-cyclopropyl-3-[8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]urea (PubChem CID 154657504) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 1-cyclopropyl-3-[8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]urea
PubChem CID154657504
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name1-cyclopropyl-3-[8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]urea
SMILESCC(C)n1cc(-c2nc3c(=O)c(NC(=O)NC4CC4)c[nH]c3nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C25H24N6O3/c1-14(2)31-13-16(8-11-19(31)32)21-20(15-6-4-3-5-7-15)30-24-22(29-21)23(33)18(12-26-24)28-25(34)27-17-9-10-17/h3-8,11-14,17H,9-10H2,1-2H3,(H,26,30,33)(H2,27,28,34)
InChIKeyGTULHJCMXKIWFW-UHFFFAOYSA-N
XLogP3.68
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-3-[8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]urea with MolForge

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Related Compounds

7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656653
6-cyclopropyl-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657298
5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one
CID 69104247
5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 69103594
N-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 17485885
1-cyclopropyl-3-(2-phenylphenyl)urea
CID 47195783
4-(6-anilino-9-propan-2-ylpurin-2-yl)-N-cyclopropylbenzamide
CID 117082380
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea
CID 146642263
N-cyclopropyl-6-phenylpyridazine-3-carboxamide
CID 113200511
1-cyclobutyl-3-(2-phenylphenyl)urea
CID 115617882
2-(2-hydroxy-3-methoxy-1-propan-2-yl-2H-pyridin-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 155006947

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]urea (CID 154657504) is 1-cyclopropyl-3-[8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]urea is CC(C)n1cc(-c2nc3c(=O)c(NC(=O)NC4CC4)c[nH]c3nc2-c2ccccc2)ccc1=O.
What is the InChIKey of 1-cyclopropyl-3-[8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]urea?
The InChIKey is GTULHJCMXKIWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-14(2)31-13-16(8-11-19(31)32)21-20(15-6-4-3-5-7-15)30-24-22(29-21)23(33)18(12-26-24)28-25(34)27-17-9-10-17/h3-8,11-14,17H,9-10H2,1-2H3,(H,26,30,33)(H2,27,28,34).
What are the key properties of 1-cyclopropyl-3-[8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]urea?
1-cyclopropyl-3-[8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]urea has a molecular weight of 456.51 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]urea is sourced from PubChem (CID 154657504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).