5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide

C26H26FN5O2 — CID 172524842

About 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide

5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide (PubChem CID 172524842) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide
• PubChem CID: 172524842
• Molecular Formula: C26H26FN5O2
• Molecular Weight: 459.53 g/mol
• Exact Mass: 459.21
• IUPAC Name: 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide
• SMILES: O=C(N[C@H]1C[C@H]1F)c1ccc(C2=CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CC2)cn1
• InChI: InChI=1S/C26H26FN5O2/c27-20-11-22(20)30-26(34)21-4-3-18(13-29-21)16-5-7-32(8-6-16)14-15-9-24-23(28-12-15)10-19(17-1-2-17)25(33)31-24/h3-5,9-10,12-13,17,20,22H,1-2,6-8,11,14H2,(H,30,34)(H,31,33)/t20-,22+/m1/s1
• InChIKey: APFDFEPVHXCTHM-IRLDBZIGSA-N
• XLogP: 3.33
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.53
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide?

The IUPAC name of 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide (CID 172524842) is 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide is O=C(N[C@H]1C[C@H]1F)c1ccc(C2=CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CC2)cn1.

What is the InChIKey of 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide?

The InChIKey is APFDFEPVHXCTHM-IRLDBZIGSA-N. The full InChI is InChI=1S/C26H26FN5O2/c27-20-11-22(20)30-26(34)21-4-3-18(13-29-21)16-5-7-32(8-6-16)14-15-9-24-23(28-12-15)10-19(17-1-2-17)25(33)31-24/h3-5,9-10,12-13,17,20,22H,1-2,6-8,11,14H2,(H,30,34)(H,31,33)/t20-,22+/m1/s1.

What are the key properties of 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide?

5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 172524842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).