7-[3-(methoxymethyl)piperazin-1-yl]-2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine

C23H25N7O — CID 167367071

IUPAC7-[3-(methoxymethyl)piperazin-1-yl]-2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
SMILESCOCC1CN(c2cnc3ccc(-c4cn[nH]c4-c4cccc(C)n4)nc3c2)CCN1
InChIInChI=1S/C23H25N7O/c1-15-4-3-5-21(27-15)23-18(12-26-29-23)19-6-7-20-22(28-19)10-17(11-25-20)30-9-8-24-16(13-30)14-31-2/h3-7,10-12,16,24H,8-9,13-14H2,1-2H3,(H,26,29)
InChIKeyKBWJARJTDGWSOW-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.81
Rot. Bonds5

About 7-[3-(methoxymethyl)piperazin-1-yl]-2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine

7-[3-(methoxymethyl)piperazin-1-yl]-2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 167367071) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 7-[3-(methoxymethyl)piperazin-1-yl]-2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name7-[3-(methoxymethyl)piperazin-1-yl]-2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
PubChem CID167367071
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name7-[3-(methoxymethyl)piperazin-1-yl]-2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
SMILESCOCC1CN(c2cnc3ccc(-c4cn[nH]c4-c4cccc(C)n4)nc3c2)CCN1
InChIInChI=1S/C23H25N7O/c1-15-4-3-5-21(27-15)23-18(12-26-29-23)19-6-7-20-22(28-19)10-17(11-25-20)30-9-8-24-16(13-30)14-31-2/h3-7,10-12,16,24H,8-9,13-14H2,1-2H3,(H,26,29)
InChIKeyKBWJARJTDGWSOW-UHFFFAOYSA-N
XLogP2.81
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(methoxymethyl)piperazin-1-yl]-2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 7-[3-(methoxymethyl)piperazin-1-yl]-2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine (CID 167367071) is 7-[3-(methoxymethyl)piperazin-1-yl]-2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 7-[3-(methoxymethyl)piperazin-1-yl]-2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 7-[3-(methoxymethyl)piperazin-1-yl]-2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine is COCC1CN(c2cnc3ccc(-c4cn[nH]c4-c4cccc(C)n4)nc3c2)CCN1.
What is the InChIKey of 7-[3-(methoxymethyl)piperazin-1-yl]-2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is KBWJARJTDGWSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-15-4-3-5-21(27-15)23-18(12-26-29-23)19-6-7-20-22(28-19)10-17(11-25-20)30-9-8-24-16(13-30)14-31-2/h3-7,10-12,16,24H,8-9,13-14H2,1-2H3,(H,26,29).
What are the key properties of 7-[3-(methoxymethyl)piperazin-1-yl]-2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
7-[3-(methoxymethyl)piperazin-1-yl]-2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 415.50 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(methoxymethyl)piperazin-1-yl]-2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 167367071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).