7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one

C18H21N7OS — CID 67260275

About 7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one

7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one (PubChem CID 67260275) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one.

Molecular Properties

• Compound Name: 7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one
• PubChem CID: 67260275
• Molecular Formula: C18H21N7OS
• Molecular Weight: 383.48 g/mol
• Exact Mass: 383.15
• IUPAC Name: 7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one
• SMILES: CCC1C(=O)N(C)c2cnc(-c3scnc3-c3ccn[nH]3)nc2N1C(C)C
• InChI: InChI=1S/C18H21N7OS/c1-5-12-18(26)24(4)13-8-19-16(22-17(13)25(12)10(2)3)15-14(20-9-27-15)11-6-7-21-23-11/h6-10,12H,5H2,1-4H3,(H,21,23)
• InChIKey: NCKWWDYOZXDQPM-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 90.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.48
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one?

The IUPAC name of 7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one (CID 67260275) is 7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one.

What is the SMILES notation for 7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one?

The canonical SMILES for 7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one is CCC1C(=O)N(C)c2cnc(-c3scnc3-c3ccn[nH]3)nc2N1C(C)C.

What is the InChIKey of 7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one?

The InChIKey is NCKWWDYOZXDQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c1-5-12-18(26)24(4)13-8-19-16(22-17(13)25(12)10(2)3)15-14(20-9-27-15)11-6-7-21-23-11/h6-10,12H,5H2,1-4H3,(H,21,23).

What are the key properties of 7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one?

7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one has a molecular weight of 383.48 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one is sourced from PubChem (CID 67260275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).