1-cyclopropyl-3-[3-[5-(hydroxymethyl)thiophen-3-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea

C16H15N5O2S2 — CID 88993987

IUPAC1-cyclopropyl-3-[3-[5-(hydroxymethyl)thiophen-3-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
SMILESO=C(Nc1ccc2ncc(-c3csc(CO)c3)nc2n1)N(S)C1CC1
InChIInChI=1S/C16H15N5O2S2/c22-7-11-5-9(8-25-11)13-6-17-12-3-4-14(19-15(12)18-13)20-16(23)21(24)10-1-2-10/h3-6,8,10,22,24H,1-2,7H2,(H,18,19,20,23)
InChIKeyBLMXCIAJPWWVDS-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.09
Rot. Bonds4

About 1-cyclopropyl-3-[3-[5-(hydroxymethyl)thiophen-3-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea

1-cyclopropyl-3-[3-[5-(hydroxymethyl)thiophen-3-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea (PubChem CID 88993987) has the molecular formula C16H15N5O2S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-[5-(hydroxymethyl)thiophen-3-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-[5-(hydroxymethyl)thiophen-3-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
PubChem CID88993987
Molecular FormulaC16H15N5O2S2
Molecular Weight373.46 g/mol
Exact Mass373.07
IUPAC Name1-cyclopropyl-3-[3-[5-(hydroxymethyl)thiophen-3-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
SMILESO=C(Nc1ccc2ncc(-c3csc(CO)c3)nc2n1)N(S)C1CC1
InChIInChI=1S/C16H15N5O2S2/c22-7-11-5-9(8-25-11)13-6-17-12-3-4-14(19-15(12)18-13)20-16(23)21(24)10-1-2-10/h3-6,8,10,22,24H,1-2,7H2,(H,18,19,20,23)
InChIKeyBLMXCIAJPWWVDS-UHFFFAOYSA-N
XLogP3.09
TPSA91.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-[5-(hydroxymethyl)thiophen-3-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea?
The IUPAC name of 1-cyclopropyl-3-[3-[5-(hydroxymethyl)thiophen-3-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea (CID 88993987) is 1-cyclopropyl-3-[3-[5-(hydroxymethyl)thiophen-3-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea.
What is the SMILES notation for 1-cyclopropyl-3-[3-[5-(hydroxymethyl)thiophen-3-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea?
The canonical SMILES for 1-cyclopropyl-3-[3-[5-(hydroxymethyl)thiophen-3-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea is O=C(Nc1ccc2ncc(-c3csc(CO)c3)nc2n1)N(S)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[3-[5-(hydroxymethyl)thiophen-3-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea?
The InChIKey is BLMXCIAJPWWVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S2/c22-7-11-5-9(8-25-11)13-6-17-12-3-4-14(19-15(12)18-13)20-16(23)21(24)10-1-2-10/h3-6,8,10,22,24H,1-2,7H2,(H,18,19,20,23).
What are the key properties of 1-cyclopropyl-3-[3-[5-(hydroxymethyl)thiophen-3-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea?
1-cyclopropyl-3-[3-[5-(hydroxymethyl)thiophen-3-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea has a molecular weight of 373.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-[5-(hydroxymethyl)thiophen-3-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea is sourced from PubChem (CID 88993987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).