5-[3-cyclopentylimino-3-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propanimidoyl]-3-(difluoromethoxy)pyridin-2-amine

C24H33F2N5O2 — CID 123502491

About 5-[3-cyclopentylimino-3-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propanimidoyl]-3-(difluoromethoxy)pyridin-2-amine

5-[3-cyclopentylimino-3-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propanimidoyl]-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 123502491) has the molecular formula C24H33F2N5O2 and a molecular weight of 461.56 g/mol. Its IUPAC name is 5-[3-cyclopentylimino-3-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propanimidoyl]-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[3-cyclopentylimino-3-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propanimidoyl]-3-(difluoromethoxy)pyridin-2-amine
• PubChem CID: 123502491
• Molecular Formula: C24H33F2N5O2
• Molecular Weight: 461.56 g/mol
• Exact Mass: 461.26
• IUPAC Name: 5-[3-cyclopentylimino-3-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propanimidoyl]-3-(difluoromethoxy)pyridin-2-amine
• SMILES: [H]/N=C(/C/C(=N\C1CCCC1)C1C2CC(N3CCOCC3)CC21)c1cnc(N)c(OC(F)F)c1
• InChI: InChI=1S/C24H33F2N5O2/c25-24(26)33-21-9-14(13-29-23(21)28)19(27)12-20(30-15-3-1-2-4-15)22-17-10-16(11-18(17)22)31-5-7-32-8-6-31/h9,13,15-18,22,24,27H,1-8,10-12H2,(H2,28,29)/b27-19-,30-20+
• InChIKey: QGZXTVUKQYRDHD-FKQSSIBNSA-N
• XLogP: 3.76
• TPSA: 96.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.56
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopentylimino-3-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propanimidoyl]-3-(difluoromethoxy)pyridin-2-amine?

The IUPAC name of 5-[3-cyclopentylimino-3-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propanimidoyl]-3-(difluoromethoxy)pyridin-2-amine (CID 123502491) is 5-[3-cyclopentylimino-3-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propanimidoyl]-3-(difluoromethoxy)pyridin-2-amine.

What is the SMILES notation for 5-[3-cyclopentylimino-3-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propanimidoyl]-3-(difluoromethoxy)pyridin-2-amine?

The canonical SMILES for 5-[3-cyclopentylimino-3-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propanimidoyl]-3-(difluoromethoxy)pyridin-2-amine is [H]/N=C(/C/C(=N\C1CCCC1)C1C2CC(N3CCOCC3)CC21)c1cnc(N)c(OC(F)F)c1.

What is the InChIKey of 5-[3-cyclopentylimino-3-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propanimidoyl]-3-(difluoromethoxy)pyridin-2-amine?

The InChIKey is QGZXTVUKQYRDHD-FKQSSIBNSA-N. The full InChI is InChI=1S/C24H33F2N5O2/c25-24(26)33-21-9-14(13-29-23(21)28)19(27)12-20(30-15-3-1-2-4-15)22-17-10-16(11-18(17)22)31-5-7-32-8-6-31/h9,13,15-18,22,24,27H,1-8,10-12H2,(H2,28,29)/b27-19-,30-20+.

What are the key properties of 5-[3-cyclopentylimino-3-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propanimidoyl]-3-(difluoromethoxy)pyridin-2-amine?

5-[3-cyclopentylimino-3-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propanimidoyl]-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 461.56 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-cyclopentylimino-3-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propanimidoyl]-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 123502491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).