4-[[(4R)-1-[(1-methylimidazol-2-yl)methyl]azepan-4-yl]methyl]-1,6-naphthyridine

C20H25N5 — CID 125017389

IUPAC4-[[(4R)-1-[(1-methylimidazol-2-yl)methyl]azepan-4-yl]methyl]-1,6-naphthyridine
SMILESCn1ccnc1CN1CCC[C@H](Cc2ccnc3ccncc23)CC1
InChIInChI=1S/C20H25N5/c1-24-12-9-23-20(24)15-25-10-2-3-16(6-11-25)13-17-4-8-22-19-5-7-21-14-18(17)19/h4-5,7-9,12,14,16H,2-3,6,10-11,13,15H2,1H3/t16-/m0/s1
InChIKeyXHDJKPAURAFXMB-INIZCTEOSA-N
MW335.45 g/mol
LogP3.21
Rot. Bonds4

About 4-[[(4R)-1-[(1-methylimidazol-2-yl)methyl]azepan-4-yl]methyl]-1,6-naphthyridine

4-[[(4R)-1-[(1-methylimidazol-2-yl)methyl]azepan-4-yl]methyl]-1,6-naphthyridine (PubChem CID 125017389) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-[[(4R)-1-[(1-methylimidazol-2-yl)methyl]azepan-4-yl]methyl]-1,6-naphthyridine.

Molecular Properties

Compound Name4-[[(4R)-1-[(1-methylimidazol-2-yl)methyl]azepan-4-yl]methyl]-1,6-naphthyridine
PubChem CID125017389
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name4-[[(4R)-1-[(1-methylimidazol-2-yl)methyl]azepan-4-yl]methyl]-1,6-naphthyridine
SMILESCn1ccnc1CN1CCC[C@H](Cc2ccnc3ccncc23)CC1
InChIInChI=1S/C20H25N5/c1-24-12-9-23-20(24)15-25-10-2-3-16(6-11-25)13-17-4-8-22-19-5-7-21-14-18(17)19/h4-5,7-9,12,14,16H,2-3,6,10-11,13,15H2,1H3/t16-/m0/s1
InChIKeyXHDJKPAURAFXMB-INIZCTEOSA-N
XLogP3.21
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-1-[(1-methylimidazol-2-yl)methyl]azepan-4-yl]methyl]-1,6-naphthyridine?
The IUPAC name of 4-[[(4R)-1-[(1-methylimidazol-2-yl)methyl]azepan-4-yl]methyl]-1,6-naphthyridine (CID 125017389) is 4-[[(4R)-1-[(1-methylimidazol-2-yl)methyl]azepan-4-yl]methyl]-1,6-naphthyridine.
What is the SMILES notation for 4-[[(4R)-1-[(1-methylimidazol-2-yl)methyl]azepan-4-yl]methyl]-1,6-naphthyridine?
The canonical SMILES for 4-[[(4R)-1-[(1-methylimidazol-2-yl)methyl]azepan-4-yl]methyl]-1,6-naphthyridine is Cn1ccnc1CN1CCC[C@H](Cc2ccnc3ccncc23)CC1.
What is the InChIKey of 4-[[(4R)-1-[(1-methylimidazol-2-yl)methyl]azepan-4-yl]methyl]-1,6-naphthyridine?
The InChIKey is XHDJKPAURAFXMB-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N5/c1-24-12-9-23-20(24)15-25-10-2-3-16(6-11-25)13-17-4-8-22-19-5-7-21-14-18(17)19/h4-5,7-9,12,14,16H,2-3,6,10-11,13,15H2,1H3/t16-/m0/s1.
What are the key properties of 4-[[(4R)-1-[(1-methylimidazol-2-yl)methyl]azepan-4-yl]methyl]-1,6-naphthyridine?
4-[[(4R)-1-[(1-methylimidazol-2-yl)methyl]azepan-4-yl]methyl]-1,6-naphthyridine has a molecular weight of 335.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-1-[(1-methylimidazol-2-yl)methyl]azepan-4-yl]methyl]-1,6-naphthyridine is sourced from PubChem (CID 125017389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).