1-[3-(ethylamino)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea

C18H22N6O2 — CID 123166578

About 1-[3-(ethylamino)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea

1-[3-(ethylamino)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (PubChem CID 123166578) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[3-(ethylamino)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.

Molecular Properties

• Compound Name: 1-[3-(ethylamino)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
• PubChem CID: 123166578
• Molecular Formula: C18H22N6O2
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.18
• IUPAC Name: 1-[3-(ethylamino)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
• SMILES: CCNc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)nc(CO)c12
• InChI: InChI=1S/C18H22N6O2/c1-3-19-17-16-13(23-24-17)9-15(21-14(16)10-25)22-18(26)20-11(2)12-7-5-4-6-8-12/h4-9,11,25H,3,10H2,1-2H3,(H2,19,23,24)(H2,20,21,22,26)
• InChIKey: FLLRIVQQUGHXBC-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 114.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[3-(ethylamino)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (CID 123166578) is 1-[3-(ethylamino)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.

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

The canonical SMILES for 1-[3-(ethylamino)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is CCNc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)nc(CO)c12.

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

The InChIKey is FLLRIVQQUGHXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-3-19-17-16-13(23-24-17)9-15(21-14(16)10-25)22-18(26)20-11(2)12-7-5-4-6-8-12/h4-9,11,25H,3,10H2,1-2H3,(H2,19,23,24)(H2,20,21,22,26).

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

1-[3-(ethylamino)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea has a molecular weight of 354.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(ethylamino)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 123166578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).