1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea

C₂₂H₂₅N₅O — CID 11451659

About 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea

1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 11451659) has the molecular formula C₂₂H₂₅N₅O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

• Compound Name: 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea
• PubChem CID: 11451659
• Molecular Formula: C₂₂H₂₅N₅O
• Molecular Weight: 375.48 g/mol
• Exact Mass: 375.21
• IUPAC Name: 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea
• SMILES: O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2cc(N3CCCCC3)ccc21
• InChI: InChI=1S/C22H25N5O/c28-22(24-19-5-4-6-21-18(19)14-23-26-21)25-20-10-7-15-13-16(8-9-17(15)20)27-11-2-1-3-12-27/h4-6,8-9,13-14,20H,1-3,7,10-12H2,(H,23,26)(H2,24,25,28)/t20-/m1/s1
• InChIKey: SVYGRCSOIPQXGO-HXUWFJFHSA-N
• XLogP: 4.36
• TPSA: 73.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.48
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea?

The IUPAC name of 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea (CID 11451659) is 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea.

What is the SMILES notation for 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea?

The canonical SMILES for 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea is O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2cc(N3CCCCC3)ccc21.

What is the InChIKey of 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea?

The InChIKey is SVYGRCSOIPQXGO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N5O/c28-22(24-19-5-4-6-21-18(19)14-23-26-21)25-20-10-7-15-13-16(8-9-17(15)20)27-11-2-1-3-12-27/h4-6,8-9,13-14,20H,1-3,7,10-12H2,(H,23,26)(H2,24,25,28)/t20-/m1/s1.

What are the key properties of 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea?

1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 375.48 g/mol, XLogP of 4.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 11451659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11451659 — identifiers, structure, computed properties (public domain)

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