1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-pyridinyl]-2-propan-2-ylpiperazin-1-yl]-3-hydroxypropan-1-one

C28H34N6O2 — CID 89307459

About 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-pyridinyl]-2-propan-2-ylpiperazin-1-yl]-3-hydroxypropan-1-one

1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-pyridinyl]-2-propan-2-ylpiperazin-1-yl]-3-hydroxypropan-1-one (PubChem CID 89307459) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-pyridinyl]-2-propan-2-ylpiperazin-1-yl]-3-hydroxypropan-1-one.

Molecular Properties

• Compound Name: 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-pyridinyl]-2-propan-2-ylpiperazin-1-yl]-3-hydroxypropan-1-one
• PubChem CID: 89307459
• Molecular Formula: C28H34N6O2
• Molecular Weight: 486.62 g/mol
• Exact Mass: 486.27
• IUPAC Name: 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-pyridinyl]-2-propan-2-ylpiperazin-1-yl]-3-hydroxypropan-1-one
• SMILES: C=Cc1cc(-c2cc(N)c(N3CCN(C(=O)CCO)[C@H](C(C)C)C3)nc2C2CC2)c2ccncc2n1
• InChI: InChI=1S/C28H34N6O2/c1-4-19-13-21(20-7-9-30-15-24(20)31-19)22-14-23(29)28(32-27(22)18-5-6-18)33-10-11-34(26(36)8-12-35)25(16-33)17(2)3/h4,7,9,13-15,17-18,25,35H,1,5-6,8,10-12,16,29H2,2-3H3/t25-/m0/s1
• InChIKey: SFIWPGJFEYYMPH-VWLOTQADSA-N
• XLogP: 3.85
• TPSA: 108.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.62
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-pyridinyl]-2-propan-2-ylpiperazin-1-yl]-3-hydroxypropan-1-one?

The IUPAC name of 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-pyridinyl]-2-propan-2-ylpiperazin-1-yl]-3-hydroxypropan-1-one (CID 89307459) is 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-pyridinyl]-2-propan-2-ylpiperazin-1-yl]-3-hydroxypropan-1-one.

What is the SMILES notation for 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-pyridinyl]-2-propan-2-ylpiperazin-1-yl]-3-hydroxypropan-1-one?

The canonical SMILES for 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-pyridinyl]-2-propan-2-ylpiperazin-1-yl]-3-hydroxypropan-1-one is C=Cc1cc(-c2cc(N)c(N3CCN(C(=O)CCO)[C@H](C(C)C)C3)nc2C2CC2)c2ccncc2n1.

What is the InChIKey of 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-pyridinyl]-2-propan-2-ylpiperazin-1-yl]-3-hydroxypropan-1-one?

The InChIKey is SFIWPGJFEYYMPH-VWLOTQADSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-4-19-13-21(20-7-9-30-15-24(20)31-19)22-14-23(29)28(32-27(22)18-5-6-18)33-10-11-34(26(36)8-12-35)25(16-33)17(2)3/h4,7,9,13-15,17-18,25,35H,1,5-6,8,10-12,16,29H2,2-3H3/t25-/m0/s1.

What are the key properties of 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-pyridinyl]-2-propan-2-ylpiperazin-1-yl]-3-hydroxypropan-1-one?

1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-pyridinyl]-2-propan-2-ylpiperazin-1-yl]-3-hydroxypropan-1-one has a molecular weight of 486.62 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-pyridinyl]-2-propan-2-ylpiperazin-1-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 89307459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).