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

C20H23N5OS — CID 88994185

IUPAC1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
SMILESCC(C)c1ccc(-c2cnc3ccc(NC(=S)NC4CCCC4)nc3n2)o1
InChIInChI=1S/C20H23N5OS/c1-12(2)16-8-9-17(26-16)15-11-21-14-7-10-18(24-19(14)23-15)25-20(27)22-13-5-3-4-6-13/h7-13H,3-6H2,1-2H3,(H2,22,23,24,25,27)
InChIKeyNUDRJOKIWHYXNV-UHFFFAOYSA-N
MW381.51 g/mol
LogP4.64
Rot. Bonds4

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

1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea (PubChem CID 88994185) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
PubChem CID88994185
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
SMILESCC(C)c1ccc(-c2cnc3ccc(NC(=S)NC4CCCC4)nc3n2)o1
InChIInChI=1S/C20H23N5OS/c1-12(2)16-8-9-17(26-16)15-11-21-14-7-10-18(24-19(14)23-15)25-20(27)22-13-5-3-4-6-13/h7-13H,3-6H2,1-2H3,(H2,22,23,24,25,27)
InChIKeyNUDRJOKIWHYXNV-UHFFFAOYSA-N
XLogP4.64
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 54.64
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-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88994029
1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70815080
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-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
CID 88994187
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-cyclopropyl-3-[3-(1H-imidazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88994120
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
5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
CID 70815017
1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 158662977
1-(5-bromo-2-pyridinyl)-3-cyclohexylthiourea
CID 19686352

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The IUPAC name of 1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea (CID 88994185) is 1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The canonical SMILES for 1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea is CC(C)c1ccc(-c2cnc3ccc(NC(=S)NC4CCCC4)nc3n2)o1.
What is the InChIKey of 1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The InChIKey is NUDRJOKIWHYXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-12(2)16-8-9-17(26-16)15-11-21-14-7-10-18(24-19(14)23-15)25-20(27)22-13-5-3-4-6-13/h7-13H,3-6H2,1-2H3,(H2,22,23,24,25,27).
What are the key properties of 1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea has a molecular weight of 381.51 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea is sourced from PubChem (CID 88994185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).