1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea

C17H21N7S — CID 88993879

IUPAC1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
SMILESCCCCCNC(=S)Nc1ccc2ncc(-c3cn(C)cn3)nc2n1
InChIInChI=1S/C17H21N7S/c1-3-4-5-8-18-17(25)23-15-7-6-12-16(22-15)21-13(9-19-12)14-10-24(2)11-20-14/h6-7,9-11H,3-5,8H2,1-2H3,(H2,18,21,22,23,25)
InChIKeyBQEZLNFETCMVSU-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.90
Rot. Bonds6

About 1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea

1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea (PubChem CID 88993879) has the molecular formula C17H21N7S and a molecular weight of 355.47 g/mol. Its IUPAC name is 1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea.

Molecular Properties

Compound Name1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
PubChem CID88993879
Molecular FormulaC17H21N7S
Molecular Weight355.47 g/mol
Exact Mass355.16
IUPAC Name1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
SMILESCCCCCNC(=S)Nc1ccc2ncc(-c3cn(C)cn3)nc2n1
InChIInChI=1S/C17H21N7S/c1-3-4-5-8-18-17(25)23-15-7-6-12-16(22-15)21-13(9-19-12)14-10-24(2)11-20-14/h6-7,9-11H,3-5,8H2,1-2H3,(H2,18,21,22,23,25)
InChIKeyBQEZLNFETCMVSU-UHFFFAOYSA-N
XLogP2.90
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea with MolForge

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

Launch Full Analysis

Related Compounds

1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88993922
1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 152976724
1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
CID 88994439
1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
CID 88993939
methyl 2-methyl-5-[6-(pentylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]furan-3-carboxylate
CID 88994190
4-[6-(pentylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
CID 88994479
1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 158662977
3-[4-[6-(ethylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]propanamide
CID 88993990
1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea
CID 88994416
1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88994072
3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazine
CID 141348292
1-ethyl-3-[3-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88993956

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea?
The IUPAC name of 1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea (CID 88993879) is 1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea.
What is the SMILES notation for 1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea?
The canonical SMILES for 1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea is CCCCCNC(=S)Nc1ccc2ncc(-c3cn(C)cn3)nc2n1.
What is the InChIKey of 1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea?
The InChIKey is BQEZLNFETCMVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7S/c1-3-4-5-8-18-17(25)23-15-7-6-12-16(22-15)21-13(9-19-12)14-10-24(2)11-20-14/h6-7,9-11H,3-5,8H2,1-2H3,(H2,18,21,22,23,25).
What are the key properties of 1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea?
1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea has a molecular weight of 355.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea is sourced from PubChem (CID 88993879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).