trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide

C18H20FN5O — CID 118498156

About trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide (PubChem CID 118498156) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
• PubChem CID: 118498156
• Molecular Formula: C18H20FN5O
• Molecular Weight: 341.39 g/mol
• Exact Mass: 341.17
• IUPAC Name: trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
• SMILES: NC(=O)[C@H]1C[C@@H]1c1ccc(NCC2(c3ccccn3)CC(F)C2)nn1
• InChI: InChI=1S/C18H20FN5O/c19-11-8-18(9-11,15-3-1-2-6-21-15)10-22-16-5-4-14(23-24-16)12-7-13(12)17(20)25/h1-6,11-13H,7-10H2,(H2,20,25)(H,22,24)/t11?,12-,13-,18?/m0/s1
• InChIKey: FZYWWGPRMLQTTH-MWDZPIOTSA-N
• XLogP: 1.94
• TPSA: 93.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.39
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide (CID 118498156) is trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide is NC(=O)[C@H]1C[C@@H]1c1ccc(NCC2(c3ccccn3)CC(F)C2)nn1.

What is the InChIKey of trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide?

The InChIKey is FZYWWGPRMLQTTH-MWDZPIOTSA-N. The full InChI is InChI=1S/C18H20FN5O/c19-11-8-18(9-11,15-3-1-2-6-21-15)10-22-16-5-4-14(23-24-16)12-7-13(12)17(20)25/h1-6,11-13H,7-10H2,(H2,20,25)(H,22,24)/t11?,12-,13-,18?/m0/s1.

What are the key properties of trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide?

trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 118498156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).