N-butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine

C23H23FN4O — CID 10293771

IUPACN-butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
SMILESCCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3c(OC)cccc23)ccn1
InChIInChI=1S/C23H23FN4O/c1-3-4-13-25-20-15-17(12-14-26-20)22-19-6-5-7-21(29-2)28(19)27-23(22)16-8-10-18(24)11-9-16/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,26)
InChIKeyFSWUERNXFMGBLY-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.42
Rot. Bonds7

About N-butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine

N-butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 10293771) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is N-butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
PubChem CID10293771
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC NameN-butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
SMILESCCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3c(OC)cccc23)ccn1
InChIInChI=1S/C23H23FN4O/c1-3-4-13-25-20-15-17(12-14-26-20)22-19-6-5-7-21(29-2)28(19)27-23(22)16-8-10-18(24)11-9-16/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,26)
InChIKeyFSWUERNXFMGBLY-UHFFFAOYSA-N
XLogP5.42
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Mak-683
CID 121412508
Pexacerfont
CID 9884366
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CID 56835771
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 33
CID 6539375
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 6539389
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine (CID 10293771) is N-butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine is CCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3c(OC)cccc23)ccn1.
What is the InChIKey of N-butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is FSWUERNXFMGBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-3-4-13-25-20-15-17(12-14-26-20)22-19-6-5-7-21(29-2)28(19)27-23(22)16-8-10-18(24)11-9-16/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,26).
What are the key properties of N-butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine?
N-butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 390.46 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 10293771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).