5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)-dideuteriomethyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide

C26H30N6O3 — CID 175789458

About 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)-dideuteriomethyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide

5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)-dideuteriomethyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide (PubChem CID 175789458) has the molecular formula C26H30N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)-dideuteriomethyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)-dideuteriomethyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide
• PubChem CID: 175789458
• Molecular Formula: C26H30N6O3
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.25
• IUPAC Name: 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)-dideuteriomethyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide
• SMILES: [2H]C([2H])(c1cnc2cc(C3CC3)c(=O)[nH]c2c1)N1CCN(c2ccc(C(=O)N[C@@H]3CCOC3)nc2)CC1
• InChI: InChI=1S/C26H30N6O3/c33-25-21(18-1-2-18)12-23-24(30-25)11-17(13-27-23)15-31-6-8-32(9-7-31)20-3-4-22(28-14-20)26(34)29-19-5-10-35-16-19/h3-4,11-14,18-19H,1-2,5-10,15-16H2,(H,29,34)(H,30,33)/t19-/m1/s1/i15D2
• InChIKey: IYNILHHGKWUAGD-ADIFKSSRSA-N
• XLogP: 2.04
• TPSA: 103.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)-dideuteriomethyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide?

The IUPAC name of 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)-dideuteriomethyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide (CID 175789458) is 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)-dideuteriomethyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)-dideuteriomethyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide?

The canonical SMILES for 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)-dideuteriomethyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide is [2H]C([2H])(c1cnc2cc(C3CC3)c(=O)[nH]c2c1)N1CCN(c2ccc(C(=O)N[C@@H]3CCOC3)nc2)CC1.

What is the InChIKey of 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)-dideuteriomethyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide?

The InChIKey is IYNILHHGKWUAGD-ADIFKSSRSA-N. The full InChI is InChI=1S/C26H30N6O3/c33-25-21(18-1-2-18)12-23-24(30-25)11-17(13-27-23)15-31-6-8-32(9-7-31)20-3-4-22(28-14-20)26(34)29-19-5-10-35-16-19/h3-4,11-14,18-19H,1-2,5-10,15-16H2,(H,29,34)(H,30,33)/t19-/m1/s1/i15D2.

What are the key properties of 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)-dideuteriomethyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide?

5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)-dideuteriomethyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)-dideuteriomethyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 175789458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).