3-[1-[bis(5-methyl-3-pyridin-3-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine

C28H25N9 — CID 22472403

IUPAC3-[1-[bis(5-methyl-3-pyridin-3-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine
SMILESCc1cc(-c2cccnc2)nn1C(n1nc(-c2cccnc2)cc1C)n1nc(-c2cccnc2)cc1C
InChIInChI=1S/C28H25N9/c1-19-13-25(22-7-4-10-29-16-22)32-35(19)28(36-20(2)14-26(33-36)23-8-5-11-30-17-23)37-21(3)15-27(34-37)24-9-6-12-31-18-24/h4-18,28H,1-3H3
InChIKeyAFYCVVTZFAFXRJ-UHFFFAOYSA-N
MW487.57 g/mol
LogP4.94
Rot. Bonds6

About 3-[1-[bis(5-methyl-3-pyridin-3-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine

3-[1-[bis(5-methyl-3-pyridin-3-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine (PubChem CID 22472403) has the molecular formula C28H25N9 and a molecular weight of 487.57 g/mol. Its IUPAC name is 3-[1-[bis(5-methyl-3-pyridin-3-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[1-[bis(5-methyl-3-pyridin-3-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine
PubChem CID22472403
Molecular FormulaC28H25N9
Molecular Weight487.57 g/mol
Exact Mass487.22
IUPAC Name3-[1-[bis(5-methyl-3-pyridin-3-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine
SMILESCc1cc(-c2cccnc2)nn1C(n1nc(-c2cccnc2)cc1C)n1nc(-c2cccnc2)cc1C
InChIInChI=1S/C28H25N9/c1-19-13-25(22-7-4-10-29-16-22)32-35(19)28(36-20(2)14-26(33-36)23-8-5-11-30-17-23)37-21(3)15-27(34-37)24-9-6-12-31-18-24/h4-18,28H,1-3H3
InChIKeyAFYCVVTZFAFXRJ-UHFFFAOYSA-N
XLogP4.94
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[bis(5-methyl-3-pyridin-3-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine?
The IUPAC name of 3-[1-[bis(5-methyl-3-pyridin-3-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine (CID 22472403) is 3-[1-[bis(5-methyl-3-pyridin-3-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine.
What is the SMILES notation for 3-[1-[bis(5-methyl-3-pyridin-3-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine?
The canonical SMILES for 3-[1-[bis(5-methyl-3-pyridin-3-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine is Cc1cc(-c2cccnc2)nn1C(n1nc(-c2cccnc2)cc1C)n1nc(-c2cccnc2)cc1C.
What is the InChIKey of 3-[1-[bis(5-methyl-3-pyridin-3-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine?
The InChIKey is AFYCVVTZFAFXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N9/c1-19-13-25(22-7-4-10-29-16-22)32-35(19)28(36-20(2)14-26(33-36)23-8-5-11-30-17-23)37-21(3)15-27(34-37)24-9-6-12-31-18-24/h4-18,28H,1-3H3.
What are the key properties of 3-[1-[bis(5-methyl-3-pyridin-3-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine?
3-[1-[bis(5-methyl-3-pyridin-3-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine has a molecular weight of 487.57 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[bis(5-methyl-3-pyridin-3-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine is sourced from PubChem (CID 22472403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).