1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea

C21H27N5O4 — CID 88994416

IUPAC1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea
SMILESCCCCCNC(=O)Nc1ccc2ncc(-c3ccc(COCOCC)o3)nc2n1
InChIInChI=1S/C21H27N5O4/c1-3-5-6-11-22-21(27)26-19-10-8-16-20(25-19)24-17(12-23-16)18-9-7-15(30-18)13-29-14-28-4-2/h7-10,12H,3-6,11,13-14H2,1-2H3,(H2,22,24,25,26,27)
InChIKeyPKUDSYIGEGVRAK-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.11
Rot. Bonds11

About 1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea

1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea (PubChem CID 88994416) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea.

Molecular Properties

Compound Name1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea
PubChem CID88994416
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC Name1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea
SMILESCCCCCNC(=O)Nc1ccc2ncc(-c3ccc(COCOCC)o3)nc2n1
InChIInChI=1S/C21H27N5O4/c1-3-5-6-11-22-21(27)26-19-10-8-16-20(25-19)24-17(12-23-16)18-9-7-15(30-18)13-29-14-28-4-2/h7-10,12H,3-6,11,13-14H2,1-2H3,(H2,22,24,25,26,27)
InChIKeyPKUDSYIGEGVRAK-UHFFFAOYSA-N
XLogP4.11
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylmethyl)-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
CID 88994091
1-ethyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70815127
3-cyclopentyl-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
CID 88994304
N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide
CID 58881889
methyl 2-methyl-5-[6-(pentylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]furan-3-carboxylate
CID 88994190
1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea
CID 88994158
1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 58881850
4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butylphosphonic acid
CID 16727365
1-ethyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70814986
1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
CID 88993879
4-[6-(pentylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
CID 88994479
1-ethyl-3-[3-(6-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730610

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea?
The IUPAC name of 1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea (CID 88994416) is 1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea.
What is the SMILES notation for 1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea?
The canonical SMILES for 1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea is CCCCCNC(=O)Nc1ccc2ncc(-c3ccc(COCOCC)o3)nc2n1.
What is the InChIKey of 1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea?
The InChIKey is PKUDSYIGEGVRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-3-5-6-11-22-21(27)26-19-10-8-16-20(25-19)24-17(12-23-16)18-9-7-15(30-18)13-29-14-28-4-2/h7-10,12H,3-6,11,13-14H2,1-2H3,(H2,22,24,25,26,27).
What are the key properties of 1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea?
1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea has a molecular weight of 413.48 g/mol, XLogP of 4.11, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea is sourced from PubChem (CID 88994416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).