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

C22H18N6 — CID 127044488

IUPAC2-(1-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine
SMILESCn1cc(-c2ccc(-c3cncc4ccc(-c5ccn(C)n5)nc34)cc2)cn1
InChIInChI=1S/C22H18N6/c1-27-10-9-21(26-27)20-8-7-17-11-23-13-19(22(17)25-20)16-5-3-15(4-6-16)18-12-24-28(2)14-18/h3-14H,1-2H3
InChIKeyDLRQNUMIROELBQ-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.10
Rot. Bonds3

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

2-(1-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine (PubChem CID 127044488) has the molecular formula C22H18N6 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine
PubChem CID127044488
Molecular FormulaC22H18N6
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC Name2-(1-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine
SMILESCn1cc(-c2ccc(-c3cncc4ccc(-c5ccn(C)n5)nc34)cc2)cn1
InChIInChI=1S/C22H18N6/c1-27-10-9-21(26-27)20-8-7-17-11-23-13-19(22(17)25-20)16-5-3-15(4-6-16)18-12-24-28(2)14-18/h3-14H,1-2H3
InChIKeyDLRQNUMIROELBQ-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-(1-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine (CID 127044488) is 2-(1-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine is Cn1cc(-c2ccc(-c3cncc4ccc(-c5ccn(C)n5)nc34)cc2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine?
The InChIKey is DLRQNUMIROELBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6/c1-27-10-9-21(26-27)20-8-7-17-11-23-13-19(22(17)25-20)16-5-3-15(4-6-16)18-12-24-28(2)14-18/h3-14H,1-2H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine?
2-(1-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-(1-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine is sourced from PubChem (CID 127044488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).