[3-(4-fluorophenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium

C24H24FN4O2+ — CID 135617386

IUPAC[3-(4-fluorophenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESO=c1[nH]c2c(cc1C[NH2+]C[C@@H]1CCCO1)c(-c1ccc(F)cc1)nn2-c1ccccc1
InChIInChI=1S/C24H23FN4O2/c25-18-10-8-16(9-11-18)22-21-13-17(14-26-15-20-7-4-12-31-20)24(30)27-23(21)29(28-22)19-5-2-1-3-6-19/h1-3,5-6,8-11,13,20,26H,4,7,12,14-15H2,(H,27,30)/p+1/t20-/m0/s1
InChIKeyICTSORLSKSUDPJ-FQEVSTJZSA-O
MW419.48 g/mol
LogP2.76
Rot. Bonds6

About [3-(4-fluorophenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium

[3-(4-fluorophenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium (PubChem CID 135617386) has the molecular formula C24H24FN4O2+ and a molecular weight of 419.48 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
PubChem CID135617386
Molecular FormulaC24H24FN4O2+
Molecular Weight419.48 g/mol
Exact Mass419.19
IUPAC Name[3-(4-fluorophenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESO=c1[nH]c2c(cc1C[NH2+]C[C@@H]1CCCO1)c(-c1ccc(F)cc1)nn2-c1ccccc1
InChIInChI=1S/C24H23FN4O2/c25-18-10-8-16(9-11-18)22-21-13-17(14-26-15-20-7-4-12-31-20)24(30)27-23(21)29(28-22)19-5-2-1-3-6-19/h1-3,5-6,8-11,13,20,26H,4,7,12,14-15H2,(H,27,30)/p+1/t20-/m0/s1
InChIKeyICTSORLSKSUDPJ-FQEVSTJZSA-O
XLogP2.76
TPSA76.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(4-fluorophenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Benzylamino-methyl)-1-phenyl-3-p-tolyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135418010
3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 24790920
3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 24792889
N-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24793672
3-tert-butyl-1-phenyl-5-[(2-phenylethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135417939
3-methyl-5-[(2-oxolanylmethylamino)methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 135417981
5-[(4-Ethyl-phenylamino)-methyl]-3-methyl-1-phenyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135417990
3-Methyl-5-[(4-morpholin-4-yl-phenylamino)-methyl]-1-phenyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135417996
5-[(cyclohexylamino)methyl]-3-(4-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135418043
5-[(cyclohexylamino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135418082
3-Methyl-5-[(2-morpholin-4-yl-ethylamino)-methyl]-1-phenyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135450601
5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135925094

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [3-(4-fluorophenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium (CID 135617386) is [3-(4-fluorophenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [3-(4-fluorophenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [3-(4-fluorophenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium is O=c1[nH]c2c(cc1C[NH2+]C[C@@H]1CCCO1)c(-c1ccc(F)cc1)nn2-c1ccccc1.
What is the InChIKey of [3-(4-fluorophenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium?
The InChIKey is ICTSORLSKSUDPJ-FQEVSTJZSA-O. The full InChI is InChI=1S/C24H23FN4O2/c25-18-10-8-16(9-11-18)22-21-13-17(14-26-15-20-7-4-12-31-20)24(30)27-23(21)29(28-22)19-5-2-1-3-6-19/h1-3,5-6,8-11,13,20,26H,4,7,12,14-15H2,(H,27,30)/p+1/t20-/m0/s1.
What are the key properties of [3-(4-fluorophenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium?
[3-(4-fluorophenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium has a molecular weight of 419.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 135617386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).