1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C21H19ClN6O — CID 71555390

About 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 71555390) has the molecular formula C21H19ClN6O and a molecular weight of 406.88 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

• Compound Name: 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
• PubChem CID: 71555390
• Molecular Formula: C21H19ClN6O
• Molecular Weight: 406.88 g/mol
• Exact Mass: 406.13
• IUPAC Name: 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
• SMILES: Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccc(Cl)cc4)ncc23)ccn1
• InChI: InChI=1S/C21H19ClN6O/c1-12-9-15(7-8-23-12)20-17-11-24-19(10-18(17)27-28-20)26-21(29)25-13(2)14-3-5-16(22)6-4-14/h3-11,13H,1-2H3,(H,27,28)(H2,24,25,26,29)/t13-/m1/s1
• InChIKey: VWUYBAAOWBTMFI-CYBMUJFWSA-N
• XLogP: 4.86
• TPSA: 95.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.88
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?

The IUPAC name of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 71555390) is 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

What is the SMILES notation for 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?

The canonical SMILES for 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccc(Cl)cc4)ncc23)ccn1.

What is the InChIKey of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?

The InChIKey is VWUYBAAOWBTMFI-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19ClN6O/c1-12-9-15(7-8-23-12)20-17-11-24-19(10-18(17)27-28-20)26-21(29)25-13(2)14-3-5-16(22)6-4-14/h3-11,13H,1-2H3,(H,27,28)(H2,24,25,26,29)/t13-/m1/s1.

What are the key properties of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?

1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 406.88 g/mol, XLogP of 4.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 71555390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).