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

C17H21N7O — CID 118395378

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

1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-methyl-2-pyridinyl)ethyl]urea (PubChem CID 118395378) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-methyl-2-pyridinyl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-methyl-2-pyridinyl)ethyl]urea
• PubChem CID: 118395378
• Molecular Formula: C17H21N7O
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.18
• IUPAC Name: 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-methyl-2-pyridinyl)ethyl]urea
• SMILES: CCNc1n[nH]c2cc(NC(=O)NC(C)c3cc(C)ccn3)ncc12
• InChI: InChI=1S/C17H21N7O/c1-4-18-16-12-9-20-15(8-14(12)23-24-16)22-17(25)21-11(3)13-7-10(2)5-6-19-13/h5-9,11H,4H2,1-3H3,(H2,18,23,24)(H2,20,21,22,25)
• InChIKey: YZVMBBGRFZNWCL-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 107.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-methyl-2-pyridinyl)ethyl]urea (CID 118395378) is 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-methyl-2-pyridinyl)ethyl]urea.

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

The canonical SMILES for 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-methyl-2-pyridinyl)ethyl]urea is CCNc1n[nH]c2cc(NC(=O)NC(C)c3cc(C)ccn3)ncc12.

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

The InChIKey is YZVMBBGRFZNWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-4-18-16-12-9-20-15(8-14(12)23-24-16)22-17(25)21-11(3)13-7-10(2)5-6-19-13/h5-9,11H,4H2,1-3H3,(H2,18,23,24)(H2,20,21,22,25).

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

1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-methyl-2-pyridinyl)ethyl]urea has a molecular weight of 339.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-methyl-2-pyridinyl)ethyl]urea is sourced from PubChem (CID 118395378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).