N-[1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]pyridine-2-carboxamide

C26H27FN6O3 — CID 25118007

About N-[1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]pyridine-2-carboxamide

N-[1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 25118007) has the molecular formula C26H27FN6O3 and a molecular weight of 490.54 g/mol. Its IUPAC name is N-[1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]pyridine-2-carboxamide
• PubChem CID: 25118007
• Molecular Formula: C26H27FN6O3
• Molecular Weight: 490.54 g/mol
• Exact Mass: 490.21
• IUPAC Name: N-[1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]pyridine-2-carboxamide
• SMILES: O=C(NC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1)c1ccccn1
• InChI: InChI=1S/C26H27FN6O3/c27-20-7-6-16(15-22-23-18(4-3-11-29-23)24(34)32-31-22)14-19(20)26(36)33-12-8-17(9-13-33)30-25(35)21-5-1-2-10-28-21/h1-2,5-7,10,14,17,29H,3-4,8-9,11-13,15H2,(H,30,35)(H,32,34)
• InChIKey: PUCTZWHQUWMNMH-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 120.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.54
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]pyridine-2-carboxamide?

The IUPAC name of N-[1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]pyridine-2-carboxamide (CID 25118007) is N-[1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]pyridine-2-carboxamide is O=C(NC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1)c1ccccn1.

What is the InChIKey of N-[1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]pyridine-2-carboxamide?

The InChIKey is PUCTZWHQUWMNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O3/c27-20-7-6-16(15-22-23-18(4-3-11-29-23)24(34)32-31-22)14-19(20)26(36)33-12-8-17(9-13-33)30-25(35)21-5-1-2-10-28-21/h1-2,5-7,10,14,17,29H,3-4,8-9,11-13,15H2,(H,30,35)(H,32,34).

What are the key properties of N-[1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]pyridine-2-carboxamide?

N-[1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 490.54 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 25118007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).