2-[1-[[3-[(3-pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-2-yl]methyl]pyrazol-3-yl]pyridine

C28H22N6 — CID 12029413

IUPAC2-[1-[[3-[(3-pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-2-yl]methyl]pyrazol-3-yl]pyridine
SMILESc1ccc(-c2ccn(Cc3cc4ccccc4cc3Cn3ccc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/C28H22N6/c1-2-8-22-18-24(20-34-16-12-28(32-34)26-10-4-6-14-30-26)23(17-21(22)7-1)19-33-15-11-27(31-33)25-9-3-5-13-29-25/h1-18H,19-20H2
InChIKeyKAEHUDMTTQJGAR-UHFFFAOYSA-N
MW442.53 g/mol
LogP5.45
Rot. Bonds6

About 2-[1-[[3-[(3-pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-2-yl]methyl]pyrazol-3-yl]pyridine

2-[1-[[3-[(3-pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-2-yl]methyl]pyrazol-3-yl]pyridine (PubChem CID 12029413) has the molecular formula C28H22N6 and a molecular weight of 442.53 g/mol. Its IUPAC name is 2-[1-[[3-[(3-pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-2-yl]methyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[1-[[3-[(3-pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-2-yl]methyl]pyrazol-3-yl]pyridine
PubChem CID12029413
Molecular FormulaC28H22N6
Molecular Weight442.53 g/mol
Exact Mass442.19
IUPAC Name2-[1-[[3-[(3-pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-2-yl]methyl]pyrazol-3-yl]pyridine
SMILESc1ccc(-c2ccn(Cc3cc4ccccc4cc3Cn3ccc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/C28H22N6/c1-2-8-22-18-24(20-34-16-12-28(32-34)26-10-4-6-14-30-26)23(17-21(22)7-1)19-33-15-11-27(31-33)25-9-3-5-13-29-25/h1-18H,19-20H2
InChIKeyKAEHUDMTTQJGAR-UHFFFAOYSA-N
XLogP5.45
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.53
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-benzylpyrazol-3-yl)pyridine
CID 71374413
ethane;2-(1-methylpyrazol-3-yl)pyridine
CID 145203642
2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine
CID 58020359
ethyl 2-(3-pyridin-2-ylpyrazol-1-yl)acetate
CID 11729213
lead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate
CID 139162818
tricopper;bis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diacetate;tetrahexafluorophosphate
CID 139175003
2-[(3-phenylpyrazol-1-yl)methyl]pyridine
CID 118497014
propane;2-pyridin-2-ylpyridine
CID 158168510
1-(2-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
CID 90588515
3,3-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]butanamide
CID 90588258
2,3-bis(3-pyridin-2-ylpyrazol-1-yl)quinoxaline
CID 71413064
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-[(3-pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-2-yl]methyl]pyrazol-3-yl]pyridine?
The IUPAC name of 2-[1-[[3-[(3-pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-2-yl]methyl]pyrazol-3-yl]pyridine (CID 12029413) is 2-[1-[[3-[(3-pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-2-yl]methyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[1-[[3-[(3-pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-2-yl]methyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 2-[1-[[3-[(3-pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-2-yl]methyl]pyrazol-3-yl]pyridine is c1ccc(-c2ccn(Cc3cc4ccccc4cc3Cn3ccc(-c4ccccn4)n3)n2)nc1.
What is the InChIKey of 2-[1-[[3-[(3-pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-2-yl]methyl]pyrazol-3-yl]pyridine?
The InChIKey is KAEHUDMTTQJGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6/c1-2-8-22-18-24(20-34-16-12-28(32-34)26-10-4-6-14-30-26)23(17-21(22)7-1)19-33-15-11-27(31-33)25-9-3-5-13-29-25/h1-18H,19-20H2.
What are the key properties of 2-[1-[[3-[(3-pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-2-yl]methyl]pyrazol-3-yl]pyridine?
2-[1-[[3-[(3-pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-2-yl]methyl]pyrazol-3-yl]pyridine has a molecular weight of 442.53 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-[(3-pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-2-yl]methyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 12029413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).