1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea

C18H23N5O — CID 131960556

About 1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea

1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea (PubChem CID 131960556) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea.

Molecular Properties

• Compound Name: 1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea
• PubChem CID: 131960556
• Molecular Formula: C18H23N5O
• Molecular Weight: 325.42 g/mol
• Exact Mass: 325.19
• IUPAC Name: 1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea
• SMILES: Nc1ccc2c(c1)CCCC2NC(=O)Nc1cc2n(n1)CCCC2
• InChI: InChI=1S/C18H23N5O/c19-13-7-8-15-12(10-13)4-3-6-16(15)20-18(24)21-17-11-14-5-1-2-9-23(14)22-17/h7-8,10-11,16H,1-6,9,19H2,(H2,20,21,22,24)
• InChIKey: CJVFWNDMINBNJM-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 84.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.42
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea?

The IUPAC name of 1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea (CID 131960556) is 1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea.

What is the SMILES notation for 1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea?

The canonical SMILES for 1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea is Nc1ccc2c(c1)CCCC2NC(=O)Nc1cc2n(n1)CCCC2.

What is the InChIKey of 1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea?

The InChIKey is CJVFWNDMINBNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c19-13-7-8-15-12(10-13)4-3-6-16(15)20-18(24)21-17-11-14-5-1-2-9-23(14)22-17/h7-8,10-11,16H,1-6,9,19H2,(H2,20,21,22,24).

What are the key properties of 1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea?

1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea has a molecular weight of 325.42 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea is sourced from PubChem (CID 131960556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).