1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea

C16H16N6OS — CID 174711834

IUPAC1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCc1csc(-c2cnc3ccc(NC(=O)N(C)C4CC4)nc3n2)n1
InChIInChI=1S/C16H16N6OS/c1-9-8-24-15(18-9)12-7-17-11-5-6-13(20-14(11)19-12)21-16(23)22(2)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,19,20,21,23)
InChIKeyKDLSNDFZDMVSOG-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.08
Rot. Bonds3

About 1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea

1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 174711834) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID174711834
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCc1csc(-c2cnc3ccc(NC(=O)N(C)C4CC4)nc3n2)n1
InChIInChI=1S/C16H16N6OS/c1-9-8-24-15(18-9)12-7-17-11-5-6-13(20-14(11)19-12)21-16(23)22(2)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,19,20,21,23)
InChIKeyKDLSNDFZDMVSOG-UHFFFAOYSA-N
XLogP3.08
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea (CID 174711834) is 1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea is Cc1csc(-c2cnc3ccc(NC(=O)N(C)C4CC4)nc3n2)n1.
What is the InChIKey of 1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is KDLSNDFZDMVSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c1-9-8-24-15(18-9)12-7-17-11-5-6-13(20-14(11)19-12)21-16(23)22(2)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,19,20,21,23).
What are the key properties of 1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 340.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 174711834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).