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

C20H23N5O4S — CID 88994091

IUPAC3-(cyclopropylmethyl)-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
SMILESCCOCOCc1ccc(-c2cnc3ccc(N(S)C(=O)NCC4CC4)nc3n2)o1
InChIInChI=1S/C20H23N5O4S/c1-2-27-12-28-11-14-5-7-17(29-14)16-10-21-15-6-8-18(24-19(15)23-16)25(30)20(26)22-9-13-3-4-13/h5-8,10,13,30H,2-4,9,11-12H2,1H3,(H,22,26)
InChIKeyAXIPGXBCZCNGHA-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.57
Rot. Bonds9

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

3-(cyclopropylmethyl)-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea (PubChem CID 88994091) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
PubChem CID88994091
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name3-(cyclopropylmethyl)-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
SMILESCCOCOCc1ccc(-c2cnc3ccc(N(S)C(=O)NCC4CC4)nc3n2)o1
InChIInChI=1S/C20H23N5O4S/c1-2-27-12-28-11-14-5-7-17(29-14)16-10-21-15-6-8-18(24-19(15)23-16)25(30)20(26)22-9-13-3-4-13/h5-8,10,13,30H,2-4,9,11-12H2,1H3,(H,22,26)
InChIKeyAXIPGXBCZCNGHA-UHFFFAOYSA-N
XLogP3.57
TPSA102.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-(cyclopropylmethyl)-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea?
The IUPAC name of 3-(cyclopropylmethyl)-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea (CID 88994091) is 3-(cyclopropylmethyl)-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea?
The canonical SMILES for 3-(cyclopropylmethyl)-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea is CCOCOCc1ccc(-c2cnc3ccc(N(S)C(=O)NCC4CC4)nc3n2)o1.
What is the InChIKey of 3-(cyclopropylmethyl)-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea?
The InChIKey is AXIPGXBCZCNGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-2-27-12-28-11-14-5-7-17(29-14)16-10-21-15-6-8-18(24-19(15)23-16)25(30)20(26)22-9-13-3-4-13/h5-8,10,13,30H,2-4,9,11-12H2,1H3,(H,22,26).
What are the key properties of 3-(cyclopropylmethyl)-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea?
3-(cyclopropylmethyl)-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea has a molecular weight of 429.50 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea is sourced from PubChem (CID 88994091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).