1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea

C17H20N6S — CID 152976724

IUPAC1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
SMILESCCCCCNC(=S)Nc1ccc2ncc(C3=NC=CC3)nc2n1
InChIInChI=1S/C17H20N6S/c1-2-3-4-9-19-17(24)23-15-8-7-13-16(22-15)21-14(11-20-13)12-6-5-10-18-12/h5,7-8,10-11H,2-4,6,9H2,1H3,(H2,19,21,22,23,24)
InChIKeyUTOFJQYPQNJPIE-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.21
Rot. Bonds6

About 1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea

1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea (PubChem CID 152976724) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea.

Molecular Properties

Compound Name1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
PubChem CID152976724
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
SMILESCCCCCNC(=S)Nc1ccc2ncc(C3=NC=CC3)nc2n1
InChIInChI=1S/C17H20N6S/c1-2-3-4-9-19-17(24)23-15-8-7-13-16(22-15)21-14(11-20-13)12-6-5-10-18-12/h5,7-8,10-11H,2-4,6,9H2,1H3,(H2,19,21,22,23,24)
InChIKeyUTOFJQYPQNJPIE-UHFFFAOYSA-N
XLogP3.21
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 158662977
1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
CID 88993879
1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
CID 88993939
1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
CID 88994439
1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88993922
4-[6-(pentylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
CID 88994479
methyl 2-methyl-5-[6-(pentylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]furan-3-carboxylate
CID 88994190
1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)thiourea
CID 143503970
N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide
CID 58881889
1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea
CID 88994416
3-[4-[6-(ethylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]propanamide
CID 88993990
N-[4-[[4-[6-(ethylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]methyl]phenyl]methanimine oxide
CID 163437076

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The IUPAC name of 1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea (CID 152976724) is 1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea.
What is the SMILES notation for 1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The canonical SMILES for 1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea is CCCCCNC(=S)Nc1ccc2ncc(C3=NC=CC3)nc2n1.
What is the InChIKey of 1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The InChIKey is UTOFJQYPQNJPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-2-3-4-9-19-17(24)23-15-8-7-13-16(22-15)21-14(11-20-13)12-6-5-10-18-12/h5,7-8,10-11H,2-4,6,9H2,1H3,(H2,19,21,22,23,24).
What are the key properties of 1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea has a molecular weight of 340.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea is sourced from PubChem (CID 152976724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).