1-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea

C18H19N5OS — CID 88994029

IUPAC1-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
SMILESCC(C)c1ccc(-c2cnc3ccc(NC(=S)NC4CC4)nc3n2)o1
InChIInChI=1S/C18H19N5OS/c1-10(2)14-6-7-15(24-14)13-9-19-12-5-8-16(22-17(12)21-13)23-18(25)20-11-3-4-11/h5-11H,3-4H2,1-2H3,(H2,20,21,22,23,25)
InChIKeyJWSRIMJFMXXECT-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.86
Rot. Bonds4

About 1-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea

1-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea (PubChem CID 88994029) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
PubChem CID88994029
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name1-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
SMILESCC(C)c1ccc(-c2cnc3ccc(NC(=S)NC4CC4)nc3n2)o1
InChIInChI=1S/C18H19N5OS/c1-10(2)14-6-7-15(24-14)13-9-19-12-5-8-16(22-17(12)21-13)23-18(25)20-11-3-4-11/h5-11H,3-4H2,1-2H3,(H2,20,21,22,23,25)
InChIKeyJWSRIMJFMXXECT-UHFFFAOYSA-N
XLogP3.86
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88994185
1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70815080
1-cyclopropyl-3-[3-(5-methylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70814979
1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88994072
1-ethyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70815127
1-cyclopropyl-3-[3-(1H-imidazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88994120
3-cyclopentyl-1-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
CID 88994187
tert-butyl 4-[6-(cyclopentylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]pyrazole-1-carboxylate
CID 88993908
1-cyclopropyl-1-sulfanyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 88994172
1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 158662977
5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
CID 70815017
1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea
CID 88994158

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea (CID 88994029) is 1-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea is CC(C)c1ccc(-c2cnc3ccc(NC(=S)NC4CC4)nc3n2)o1.
What is the InChIKey of 1-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The InChIKey is JWSRIMJFMXXECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-10(2)14-6-7-15(24-14)13-9-19-12-5-8-16(22-17(12)21-13)23-18(25)20-11-3-4-11/h5-11H,3-4H2,1-2H3,(H2,20,21,22,23,25).
What are the key properties of 1-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
1-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea has a molecular weight of 353.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea is sourced from PubChem (CID 88994029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).