1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea

C23H30FN5O — CID 42806494

About 1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea

1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea (PubChem CID 42806494) has the molecular formula C23H30FN5O and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea.

Molecular Properties

• Compound Name: 1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea
• PubChem CID: 42806494
• Molecular Formula: C23H30FN5O
• Molecular Weight: 411.53 g/mol
• Exact Mass: 411.24
• IUPAC Name: 1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea
• SMILES: C=CCNC(=O)N(Cc1nn(-c2cccc(F)c2)c2c1CN(CCC)CC2)C1CC1
• InChI: InChI=1S/C23H30FN5O/c1-3-11-25-23(30)28(18-8-9-18)16-21-20-15-27(12-4-2)13-10-22(20)29(26-21)19-7-5-6-17(24)14-19/h3,5-7,14,18H,1,4,8-13,15-16H2,2H3,(H,25,30)
• InChIKey: GGLBVJAGPWUZNR-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 53.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.53
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea?

The IUPAC name of 1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea (CID 42806494) is 1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea.

What is the SMILES notation for 1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea?

The canonical SMILES for 1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea is C=CCNC(=O)N(Cc1nn(-c2cccc(F)c2)c2c1CN(CCC)CC2)C1CC1.

What is the InChIKey of 1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea?

The InChIKey is GGLBVJAGPWUZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O/c1-3-11-25-23(30)28(18-8-9-18)16-21-20-15-27(12-4-2)13-10-22(20)29(26-21)19-7-5-6-17(24)14-19/h3,5-7,14,18H,1,4,8-13,15-16H2,2H3,(H,25,30).

What are the key properties of 1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea?

1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea has a molecular weight of 411.53 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea is sourced from PubChem (CID 42806494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).