2-(4-cyclopropyloxypyrimidin-5-yl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid

C26H35N5O3 — CID 146417575

About 2-(4-cyclopropyloxypyrimidin-5-yl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid

2-(4-cyclopropyloxypyrimidin-5-yl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid (PubChem CID 146417575) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-(4-cyclopropyloxypyrimidin-5-yl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-(4-cyclopropyloxypyrimidin-5-yl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid
• PubChem CID: 146417575
• Molecular Formula: C26H35N5O3
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.27
• IUPAC Name: 2-(4-cyclopropyloxypyrimidin-5-yl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid
• SMILES: O=C(O)C(c1cncnc1OC1CC1)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1
• InChI: InChI=1S/C26H35N5O3/c32-26(33)23(22-15-27-17-29-25(22)34-21-10-11-21)31-14-12-18(16-31)5-2-1-3-7-20-9-8-19-6-4-13-28-24(19)30-20/h8-9,15,17-18,21,23H,1-7,10-14,16H2,(H,28,30)(H,32,33)/t18-,23?/m1/s1
• InChIKey: DXPGQHWNWXXUPW-FKSKYRLFSA-N
• XLogP: 4.02
• TPSA: 100.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyloxypyrimidin-5-yl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid?

The IUPAC name of 2-(4-cyclopropyloxypyrimidin-5-yl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid (CID 146417575) is 2-(4-cyclopropyloxypyrimidin-5-yl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid.

What is the SMILES notation for 2-(4-cyclopropyloxypyrimidin-5-yl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid?

The canonical SMILES for 2-(4-cyclopropyloxypyrimidin-5-yl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid is O=C(O)C(c1cncnc1OC1CC1)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.

What is the InChIKey of 2-(4-cyclopropyloxypyrimidin-5-yl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid?

The InChIKey is DXPGQHWNWXXUPW-FKSKYRLFSA-N. The full InChI is InChI=1S/C26H35N5O3/c32-26(33)23(22-15-27-17-29-25(22)34-21-10-11-21)31-14-12-18(16-31)5-2-1-3-7-20-9-8-19-6-4-13-28-24(19)30-20/h8-9,15,17-18,21,23H,1-7,10-14,16H2,(H,28,30)(H,32,33)/t18-,23?/m1/s1.

What are the key properties of 2-(4-cyclopropyloxypyrimidin-5-yl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid?

2-(4-cyclopropyloxypyrimidin-5-yl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 465.60 g/mol, XLogP of 4.02, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyloxypyrimidin-5-yl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 146417575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).