1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine

C22H26N6 — CID 156661505

IUPAC1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine
SMILESCC(C)(C)c1cc(-c2cc3cnccc3c(-c3cc(C(C)(C)C)[nH]n3)n2)n[nH]1
InChIInChI=1S/C22H26N6/c1-21(2,3)18-10-16(25-27-18)15-9-13-12-23-8-7-14(13)20(24-15)17-11-19(28-26-17)22(4,5)6/h7-12H,1-6H3,(H,25,27)(H,26,28)
InChIKeyIIVKTNYMXSDGGA-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.01
Rot. Bonds2

About 1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine

1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine (PubChem CID 156661505) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine.

Molecular Properties

Compound Name1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine
PubChem CID156661505
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine
SMILESCC(C)(C)c1cc(-c2cc3cnccc3c(-c3cc(C(C)(C)C)[nH]n3)n2)n[nH]1
InChIInChI=1S/C22H26N6/c1-21(2,3)18-10-16(25-27-18)15-9-13-12-23-8-7-14(13)20(24-15)17-11-19(28-26-17)22(4,5)6/h7-12H,1-6H3,(H,25,27)(H,26,28)
InChIKeyIIVKTNYMXSDGGA-UHFFFAOYSA-N
XLogP5.01
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+)
CID 158649748
2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine
CID 159840695
(5-tert-butylisoquinolin-7-yl)boronic acid
CID 171854407
2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine
CID 90268941
N-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 91050851
5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole
CID 118121632
1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+)
CID 156661553
4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine
CID 163407295
6-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]isoquinoline
CID 90278552
3,8-phenanthroline
CID 13064691
1-(7-chloroisoquinolin-5-yl)ethanol
CID 82575893
3-(7-chloroisoquinolin-5-yl)-2,2-dimethylpropan-1-amine
CID 82576965

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine?
The IUPAC name of 1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine (CID 156661505) is 1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine.
What is the SMILES notation for 1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine?
The canonical SMILES for 1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine is CC(C)(C)c1cc(-c2cc3cnccc3c(-c3cc(C(C)(C)C)[nH]n3)n2)n[nH]1.
What is the InChIKey of 1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine?
The InChIKey is IIVKTNYMXSDGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-21(2,3)18-10-16(25-27-18)15-9-13-12-23-8-7-14(13)20(24-15)17-11-19(28-26-17)22(4,5)6/h7-12H,1-6H3,(H,25,27)(H,26,28).
What are the key properties of 1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine?
1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine has a molecular weight of 374.49 g/mol, XLogP of 5.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine is sourced from PubChem (CID 156661505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).