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

C20H23N5O2S — CID 88994187

IUPAC3-cyclopentyl-1-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
SMILESCC(C)c1ccc(-c2cnc3ccc(N(S)C(=O)NC4CCCC4)nc3n2)o1
InChIInChI=1S/C20H23N5O2S/c1-12(2)16-8-9-17(27-16)15-11-21-14-7-10-18(24-19(14)23-15)25(28)20(26)22-13-5-3-4-6-13/h7-13,28H,3-6H2,1-2H3,(H,22,26)
InChIKeyPZYNXOQZGCPYDY-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.71
Rot. Bonds4

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

3-cyclopentyl-1-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea (PubChem CID 88994187) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
PubChem CID88994187
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name3-cyclopentyl-1-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
SMILESCC(C)c1ccc(-c2cnc3ccc(N(S)C(=O)NC4CCCC4)nc3n2)o1
InChIInChI=1S/C20H23N5O2S/c1-12(2)16-8-9-17(27-16)15-11-21-14-7-10-18(24-19(14)23-15)25(28)20(26)22-13-5-3-4-6-13/h7-13,28H,3-6H2,1-2H3,(H,22,26)
InChIKeyPZYNXOQZGCPYDY-UHFFFAOYSA-N
XLogP4.71
TPSA84.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
CID 88994304
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-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88994029
3-(cyclopropylmethyl)-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
CID 88994091
1-ethyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70815127
1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea
CID 87313669
1-cyclopropyl-3-[3-(5-methylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70814979
1-cyclopropyl-1-sulfanyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 88994172
4-[6-[ethylcarbamoyl(sulfanyl)amino]pyrido[2,3-b]pyrazin-3-yl]pyrazole-1-carboxylic acid
CID 123859355
1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
CID 88994409
1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 88995559
1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
CID 87655567

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea?
The IUPAC name of 3-cyclopentyl-1-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea (CID 88994187) is 3-cyclopentyl-1-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea.
What is the SMILES notation for 3-cyclopentyl-1-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea?
The canonical SMILES for 3-cyclopentyl-1-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea is CC(C)c1ccc(-c2cnc3ccc(N(S)C(=O)NC4CCCC4)nc3n2)o1.
What is the InChIKey of 3-cyclopentyl-1-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea?
The InChIKey is PZYNXOQZGCPYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-12(2)16-8-9-17(27-16)15-11-21-14-7-10-18(24-19(14)23-15)25(28)20(26)22-13-5-3-4-6-13/h7-13,28H,3-6H2,1-2H3,(H,22,26).
What are the key properties of 3-cyclopentyl-1-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea?
3-cyclopentyl-1-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea has a molecular weight of 397.50 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea is sourced from PubChem (CID 88994187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).