4-methyl-3-[(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-phenylpyrazolo[1,5-a]pyridine

C29H24N4 — CID 14642224

IUPAC4-methyl-3-[(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-phenylpyrazolo[1,5-a]pyridine
SMILESCc1cccn2nc(-c3ccccc3)c(Cc3c(-c4ccccc4)nn4cccc(C)c34)c12
InChIInChI=1S/C29H24N4/c1-20-11-9-17-32-28(20)24(26(30-32)22-13-5-3-6-14-22)19-25-27(23-15-7-4-8-16-23)31-33-18-10-12-21(2)29(25)33/h3-18H,19H2,1-2H3
InChIKeyHNHMCXRCXWSCEJ-UHFFFAOYSA-N
MW428.54 g/mol
LogP6.52
Rot. Bonds4

About 4-methyl-3-[(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-phenylpyrazolo[1,5-a]pyridine

4-methyl-3-[(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-phenylpyrazolo[1,5-a]pyridine (PubChem CID 14642224) has the molecular formula C29H24N4 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-methyl-3-[(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-phenylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4-methyl-3-[(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-phenylpyrazolo[1,5-a]pyridine
PubChem CID14642224
Molecular FormulaC29H24N4
Molecular Weight428.54 g/mol
Exact Mass428.20
IUPAC Name4-methyl-3-[(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-phenylpyrazolo[1,5-a]pyridine
SMILESCc1cccn2nc(-c3ccccc3)c(Cc3c(-c4ccccc4)nn4cccc(C)c34)c12
InChIInChI=1S/C29H24N4/c1-20-11-9-17-32-28(20)24(26(30-32)22-13-5-3-6-14-22)19-25-27(23-15-7-4-8-16-23)31-33-18-10-12-21(2)29(25)33/h3-18H,19H2,1-2H3
InChIKeyHNHMCXRCXWSCEJ-UHFFFAOYSA-N
XLogP6.52
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-phenylpyrazolo[1,5-a]pyridine?
The IUPAC name of 4-methyl-3-[(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-phenylpyrazolo[1,5-a]pyridine (CID 14642224) is 4-methyl-3-[(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-phenylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 4-methyl-3-[(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-phenylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 4-methyl-3-[(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-phenylpyrazolo[1,5-a]pyridine is Cc1cccn2nc(-c3ccccc3)c(Cc3c(-c4ccccc4)nn4cccc(C)c34)c12.
What is the InChIKey of 4-methyl-3-[(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-phenylpyrazolo[1,5-a]pyridine?
The InChIKey is HNHMCXRCXWSCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4/c1-20-11-9-17-32-28(20)24(26(30-32)22-13-5-3-6-14-22)19-25-27(23-15-7-4-8-16-23)31-33-18-10-12-21(2)29(25)33/h3-18H,19H2,1-2H3.
What are the key properties of 4-methyl-3-[(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-phenylpyrazolo[1,5-a]pyridine?
4-methyl-3-[(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-phenylpyrazolo[1,5-a]pyridine has a molecular weight of 428.54 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-phenylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 14642224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).