1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea

C19H27N5O3S — CID 139003219

About 1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea

1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea (PubChem CID 139003219) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea.

Molecular Properties

• Compound Name: 1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea
• PubChem CID: 139003219
• Molecular Formula: C19H27N5O3S
• Molecular Weight: 405.52 g/mol
• Exact Mass: 405.18
• IUPAC Name: 1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea
• SMILES: CC1(CNC(=O)Nc2cnn(CCN3CCOCC3)c2)OCCc2sccc21
• InChI: InChI=1S/C19H27N5O3S/c1-19(16-3-11-28-17(16)2-8-27-19)14-20-18(25)22-15-12-21-24(13-15)5-4-23-6-9-26-10-7-23/h3,11-13H,2,4-10,14H2,1H3,(H2,20,22,25)
• InChIKey: XQPBPGPFTZSNRD-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 80.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.52
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea?

The IUPAC name of 1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea (CID 139003219) is 1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea.

What is the SMILES notation for 1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea?

The canonical SMILES for 1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea is CC1(CNC(=O)Nc2cnn(CCN3CCOCC3)c2)OCCc2sccc21.

What is the InChIKey of 1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea?

The InChIKey is XQPBPGPFTZSNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-19(16-3-11-28-17(16)2-8-27-19)14-20-18(25)22-15-12-21-24(13-15)5-4-23-6-9-26-10-7-23/h3,11-13H,2,4-10,14H2,1H3,(H2,20,22,25).

What are the key properties of 1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea?

1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea has a molecular weight of 405.52 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 139003219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).