2-(2-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine

C22H18N6 — CID 118660621

IUPAC2-(2-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine
SMILESCn1cc(-c2ccc(-c3cncc4ccc(-c5ccnn5C)nc34)cc2)cn1
InChIInChI=1S/C22H18N6/c1-27-14-18(12-25-27)15-3-5-16(6-4-15)19-13-23-11-17-7-8-20(26-22(17)19)21-9-10-24-28(21)2/h3-14H,1-2H3
InChIKeyBEWMTAWSVCJGFE-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.10
Rot. Bonds3

About 2-(2-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine

2-(2-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine (PubChem CID 118660621) has the molecular formula C22H18N6 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine
PubChem CID118660621
Molecular FormulaC22H18N6
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC Name2-(2-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine
SMILESCn1cc(-c2ccc(-c3cncc4ccc(-c5ccnn5C)nc34)cc2)cn1
InChIInChI=1S/C22H18N6/c1-27-14-18(12-25-27)15-3-5-16(6-4-15)19-13-23-11-17-7-8-20(26-22(17)19)21-9-10-24-28(21)2/h3-14H,1-2H3
InChIKeyBEWMTAWSVCJGFE-UHFFFAOYSA-N
XLogP4.10
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine (CID 118660621) is 2-(2-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine is Cn1cc(-c2ccc(-c3cncc4ccc(-c5ccnn5C)nc34)cc2)cn1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine?
The InChIKey is BEWMTAWSVCJGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6/c1-27-14-18(12-25-27)15-3-5-16(6-4-15)19-13-23-11-17-7-8-20(26-22(17)19)21-9-10-24-28(21)2/h3-14H,1-2H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine?
2-(2-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine has a molecular weight of 366.43 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine is sourced from PubChem (CID 118660621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).