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

C20H24N6O2 — CID 118380878

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

1-[3-(4-hydroxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 118380878) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[3-(4-hydroxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

• Compound Name: 1-[3-(4-hydroxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
• PubChem CID: 118380878
• Molecular Formula: C20H24N6O2
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.20
• IUPAC Name: 1-[3-(4-hydroxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
• SMILES: C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCC(O)CC3)c2cn1)c1ccccc1
• InChI: InChI=1S/C20H24N6O2/c1-13(14-5-3-2-4-6-14)22-20(28)23-18-11-17-16(12-21-18)19(25-24-17)26-9-7-15(27)8-10-26/h2-6,11-13,15,27H,7-10H2,1H3,(H,24,25)(H2,21,22,23,28)/t13-/m1/s1
• InChIKey: BJMXFHOCDZTTLD-CYBMUJFWSA-N
• XLogP: 2.80
• TPSA: 106.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[3-(4-hydroxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (CID 118380878) is 1-[3-(4-hydroxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.

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

The canonical SMILES for 1-[3-(4-hydroxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCC(O)CC3)c2cn1)c1ccccc1.

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

The InChIKey is BJMXFHOCDZTTLD-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13(14-5-3-2-4-6-14)22-20(28)23-18-11-17-16(12-21-18)19(25-24-17)26-9-7-15(27)8-10-26/h2-6,11-13,15,27H,7-10H2,1H3,(H,24,25)(H2,21,22,23,28)/t13-/m1/s1.

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

1-[3-(4-hydroxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 380.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4-hydroxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 118380878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).