5-[4-(6-methylpyridazin-3-yl)-3-propylphenyl]-1H-pyrazolo[3,4-b]pyridine

C20H19N5 — CID 153348735

IUPAC5-[4-(6-methylpyridazin-3-yl)-3-propylphenyl]-1H-pyrazolo[3,4-b]pyridine
SMILESCCCc1cc(-c2cnc3[nH]ncc3c2)ccc1-c1ccc(C)nn1
InChIInChI=1S/C20H19N5/c1-3-4-15-9-14(16-10-17-12-22-25-20(17)21-11-16)6-7-18(15)19-8-5-13(2)23-24-19/h5-12H,3-4H2,1-2H3,(H,21,22,25)
InChIKeyBQEUAJCMADWYIB-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.34
Rot. Bonds4

About 5-[4-(6-methylpyridazin-3-yl)-3-propylphenyl]-1H-pyrazolo[3,4-b]pyridine

5-[4-(6-methylpyridazin-3-yl)-3-propylphenyl]-1H-pyrazolo[3,4-b]pyridine (PubChem CID 153348735) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 5-[4-(6-methylpyridazin-3-yl)-3-propylphenyl]-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-[4-(6-methylpyridazin-3-yl)-3-propylphenyl]-1H-pyrazolo[3,4-b]pyridine
PubChem CID153348735
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name5-[4-(6-methylpyridazin-3-yl)-3-propylphenyl]-1H-pyrazolo[3,4-b]pyridine
SMILESCCCc1cc(-c2cnc3[nH]ncc3c2)ccc1-c1ccc(C)nn1
InChIInChI=1S/C20H19N5/c1-3-4-15-9-14(16-10-17-12-22-25-20(17)21-11-16)6-7-18(15)19-8-5-13(2)23-24-19/h5-12H,3-4H2,1-2H3,(H,21,22,25)
InChIKeyBQEUAJCMADWYIB-UHFFFAOYSA-N
XLogP4.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine
CID 170685631
5-methyl-1H-pyrazolo[5,4-c]pyridazine
CID 144654603
N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 142456930
3-methyl-6-[6-(6-methyl-3-pyridinyl)-3-pyridinyl]pyridazine
CID 118345277
5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine
CID 166137648
4-(4-propylphenyl)-1H-pyridazin-6-one
CID 106517178
ethane;5-ethyl-1H-pyrazolo[5,4-b]pyridine
CID 176692042
1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene
CID 158517315
N,4-dimethyl-N-(2-methylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-triazol-3-amine
CID 155955373
3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine
CID 10262767
1-butyl-4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]-2-propylbenzene
CID 123979323
1,4-bis(4-methylphenyl)-2,5-dipropylbenzene
CID 59821666

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-methylpyridazin-3-yl)-3-propylphenyl]-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-[4-(6-methylpyridazin-3-yl)-3-propylphenyl]-1H-pyrazolo[3,4-b]pyridine (CID 153348735) is 5-[4-(6-methylpyridazin-3-yl)-3-propylphenyl]-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-[4-(6-methylpyridazin-3-yl)-3-propylphenyl]-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-[4-(6-methylpyridazin-3-yl)-3-propylphenyl]-1H-pyrazolo[3,4-b]pyridine is CCCc1cc(-c2cnc3[nH]ncc3c2)ccc1-c1ccc(C)nn1.
What is the InChIKey of 5-[4-(6-methylpyridazin-3-yl)-3-propylphenyl]-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is BQEUAJCMADWYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-3-4-15-9-14(16-10-17-12-22-25-20(17)21-11-16)6-7-18(15)19-8-5-13(2)23-24-19/h5-12H,3-4H2,1-2H3,(H,21,22,25).
What are the key properties of 5-[4-(6-methylpyridazin-3-yl)-3-propylphenyl]-1H-pyrazolo[3,4-b]pyridine?
5-[4-(6-methylpyridazin-3-yl)-3-propylphenyl]-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 329.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-methylpyridazin-3-yl)-3-propylphenyl]-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 153348735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).