1-[4-[(dimethylamino)methyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea

C19H24N6O2 — CID 123564301

About 1-[4-[(dimethylamino)methyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea

1-[4-[(dimethylamino)methyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (PubChem CID 123564301) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.

Molecular Properties

• Compound Name: 1-[4-[(dimethylamino)methyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
• PubChem CID: 123564301
• Molecular Formula: C19H24N6O2
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.20
• IUPAC Name: 1-[4-[(dimethylamino)methyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
• SMILES: COc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)nc(CN(C)C)c12
• InChI: InChI=1S/C19H24N6O2/c1-12(13-8-6-5-7-9-13)20-19(26)22-16-10-14-17(18(27-4)24-23-14)15(21-16)11-25(2)3/h5-10,12H,11H2,1-4H3,(H,23,24)(H2,20,21,22,26)
• InChIKey: BUSSTVPEPITQDJ-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?

The IUPAC name of 1-[4-[(dimethylamino)methyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (CID 123564301) is 1-[4-[(dimethylamino)methyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.

What is the SMILES notation for 1-[4-[(dimethylamino)methyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?

The canonical SMILES for 1-[4-[(dimethylamino)methyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is COc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)nc(CN(C)C)c12.

What is the InChIKey of 1-[4-[(dimethylamino)methyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?

The InChIKey is BUSSTVPEPITQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-12(13-8-6-5-7-9-13)20-19(26)22-16-10-14-17(18(27-4)24-23-14)15(21-16)11-25(2)3/h5-10,12H,11H2,1-4H3,(H,23,24)(H2,20,21,22,26).

What are the key properties of 1-[4-[(dimethylamino)methyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?

1-[4-[(dimethylamino)methyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea has a molecular weight of 368.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(dimethylamino)methyl]-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 123564301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).