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

C16H16N6OS — CID 70815117

IUPAC1-(cyclopropylmethyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCc1nc(-c2cnc3ccc(NC(=O)NCC4CC4)nc3n2)cs1
InChIInChI=1S/C16H16N6OS/c1-9-19-13(8-24-9)12-7-17-11-4-5-14(21-15(11)20-12)22-16(23)18-6-10-2-3-10/h4-5,7-8,10H,2-3,6H2,1H3,(H2,18,20,21,22,23)
InChIKeyBWGMIPWTSMFCHG-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.99
Rot. Bonds4

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

1-(cyclopropylmethyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 70815117) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID70815117
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name1-(cyclopropylmethyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCc1nc(-c2cnc3ccc(NC(=O)NCC4CC4)nc3n2)cs1
InChIInChI=1S/C16H16N6OS/c1-9-19-13(8-24-9)12-7-17-11-4-5-14(21-15(11)20-12)22-16(23)18-6-10-2-3-10/h4-5,7-8,10H,2-3,6H2,1H3,(H2,18,20,21,22,23)
InChIKeyBWGMIPWTSMFCHG-UHFFFAOYSA-N
XLogP2.99
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea (CID 70815117) is 1-(cyclopropylmethyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea is Cc1nc(-c2cnc3ccc(NC(=O)NCC4CC4)nc3n2)cs1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is BWGMIPWTSMFCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c1-9-19-13(8-24-9)12-7-17-11-4-5-14(21-15(11)20-12)22-16(23)18-6-10-2-3-10/h4-5,7-8,10H,2-3,6H2,1H3,(H2,18,20,21,22,23).
What are the key properties of 1-(cyclopropylmethyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
1-(cyclopropylmethyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 340.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 70815117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).