4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate

C19H22N5O7P — CID 142764045

IUPAC4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate
SMILESCOc1cc(-c2cnc3ccc(NC(=O)NCCCCOP(=O)(O)O)nc3n2)ccc1O
InChIInChI=1S/C19H22N5O7P/c1-30-16-10-12(4-6-15(16)25)14-11-21-13-5-7-17(23-18(13)22-14)24-19(26)20-8-2-3-9-31-32(27,28)29/h4-7,10-11,25H,2-3,8-9H2,1H3,(H2,27,28,29)(H2,20,22,23,24,26)
InChIKeyZLPCOOOOWIBIBS-UHFFFAOYSA-N
MW463.39 g/mol
LogP2.42
Rot. Bonds9

About 4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate

4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate (PubChem CID 142764045) has the molecular formula C19H22N5O7P and a molecular weight of 463.39 g/mol. Its IUPAC name is 4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate.

Molecular Properties

Compound Name4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate
PubChem CID142764045
Molecular FormulaC19H22N5O7P
Molecular Weight463.39 g/mol
Exact Mass463.13
IUPAC Name4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate
SMILESCOc1cc(-c2cnc3ccc(NC(=O)NCCCCOP(=O)(O)O)nc3n2)ccc1O
InChIInChI=1S/C19H22N5O7P/c1-30-16-10-12(4-6-15(16)25)14-11-21-13-5-7-17(23-18(13)22-14)24-19(26)20-8-2-3-9-31-32(27,28)29/h4-7,10-11,25H,2-3,8-9H2,1H3,(H2,27,28,29)(H2,20,22,23,24,26)
InChIKeyZLPCOOOOWIBIBS-UHFFFAOYSA-N
XLogP2.42
TPSA176.02 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.39
LogP ≤ 52.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate with MolForge

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Related Compounds

[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate
CID 16727340
4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butylphosphonic acid
CID 16727365
N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide
CID 58881889
1-ethyl-3-[3-(6-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730610
1-[3-(2,6-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 58881943
1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[4-(5-methylcyclohexa-1,3-dien-1-yl)butyl]urea
CID 163875665
1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
CID 66558186
[3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate
CID 16727165
1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
CID 66558871
1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 25150944
1-[3-(3-cyanophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 66558012
1-ethyl-3-(3-quinolin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730528

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate?
The IUPAC name of 4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate (CID 142764045) is 4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate.
What is the SMILES notation for 4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate?
The canonical SMILES for 4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate is COc1cc(-c2cnc3ccc(NC(=O)NCCCCOP(=O)(O)O)nc3n2)ccc1O.
What is the InChIKey of 4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate?
The InChIKey is ZLPCOOOOWIBIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N5O7P/c1-30-16-10-12(4-6-15(16)25)14-11-21-13-5-7-17(23-18(13)22-14)24-19(26)20-8-2-3-9-31-32(27,28)29/h4-7,10-11,25H,2-3,8-9H2,1H3,(H2,27,28,29)(H2,20,22,23,24,26).
What are the key properties of 4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate?
4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate has a molecular weight of 463.39 g/mol, XLogP of 2.42, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-hydroxy-3-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamoylamino]butyl dihydrogen phosphate is sourced from PubChem (CID 142764045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).