1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea

C16H13ClN6S — CID 88994067

IUPAC1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1ccc2ncc(-c3cccc(Cl)n3)nc2n1
InChIInChI=1S/C16H13ClN6S/c1-2-8-18-16(24)23-14-7-6-11-15(22-14)21-12(9-19-11)10-4-3-5-13(17)20-10/h2-7,9H,1,8H2,(H2,18,21,22,23,24)
InChIKeyNKNISNVOSTWGCY-UHFFFAOYSA-N
MW356.84 g/mol
LogP3.21
Rot. Bonds4

About 1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea

1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea (PubChem CID 88994067) has the molecular formula C16H13ClN6S and a molecular weight of 356.84 g/mol. Its IUPAC name is 1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea
PubChem CID88994067
Molecular FormulaC16H13ClN6S
Molecular Weight356.84 g/mol
Exact Mass356.06
IUPAC Name1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1ccc2ncc(-c3cccc(Cl)n3)nc2n1
InChIInChI=1S/C16H13ClN6S/c1-2-8-18-16(24)23-14-7-6-11-15(22-14)21-12(9-19-11)10-4-3-5-13(17)20-10/h2-7,9H,1,8H2,(H2,18,21,22,23,24)
InChIKeyNKNISNVOSTWGCY-UHFFFAOYSA-N
XLogP3.21
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea?
The IUPAC name of 1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea (CID 88994067) is 1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea.
What is the SMILES notation for 1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea?
The canonical SMILES for 1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea is C=CCNC(=S)Nc1ccc2ncc(-c3cccc(Cl)n3)nc2n1.
What is the InChIKey of 1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea?
The InChIKey is NKNISNVOSTWGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6S/c1-2-8-18-16(24)23-14-7-6-11-15(22-14)21-12(9-19-11)10-4-3-5-13(17)20-10/h2-7,9H,1,8H2,(H2,18,21,22,23,24).
What are the key properties of 1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea?
1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea has a molecular weight of 356.84 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea is sourced from PubChem (CID 88994067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).