1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide

C26H26FN7O2 — CID 24889618

IUPAC1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(c2cc(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c3c(N)nn(C)c3n2)CC1
InChIInChI=1S/C26H26FN7O2/c1-14-4-9-18(27)19(12-14)31-25(36)30-16-7-5-15(6-8-16)17-13-20(26(10-11-26)24(35)29-2)32-23-21(17)22(28)33-34(23)3/h4-9,12-13H,10-11H2,1-3H3,(H2,28,33)(H,29,35)(H2,30,31,36)
InChIKeyISDISJHXROEIFI-UHFFFAOYSA-N
MW487.54 g/mol
LogP4.09
Rot. Bonds5

About 1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide

1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide (PubChem CID 24889618) has the molecular formula C26H26FN7O2 and a molecular weight of 487.54 g/mol. Its IUPAC name is 1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide
PubChem CID24889618
Molecular FormulaC26H26FN7O2
Molecular Weight487.54 g/mol
Exact Mass487.21
IUPAC Name1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(c2cc(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c3c(N)nn(C)c3n2)CC1
InChIInChI=1S/C26H26FN7O2/c1-14-4-9-18(27)19(12-14)31-25(36)30-16-7-5-15(6-8-16)17-13-20(26(10-11-26)24(35)29-2)32-23-21(17)22(28)33-34(23)3/h4-9,12-13H,10-11H2,1-3H3,(H2,28,33)(H,29,35)(H2,30,31,36)
InChIKeyISDISJHXROEIFI-UHFFFAOYSA-N
XLogP4.09
TPSA126.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide 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

1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-ethylcyclopropane-1-carboxamide
CID 24889102
1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
CID 24889777
N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 59463690
ethyl 1-[3-amino-4-[4-(benzenesulfinamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylate
CID 143593484
N-[4-(3-amino-6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59463693
acetic acid;1-[4-[3-amino-6-[(1S)-2,2-dimethylcyclobutyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 143593578
1-[5-cyano-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-6-(trifluoromethylsulfonyloxy)-2-pyridinyl]cyclopropane-1-carboxylic acid
CID 150389172
1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 73295888
1-[4-(3-amino-7-fluoro-2,1-benzoxazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 69169305
[6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-3-pyridinyl]boronic acid
CID 131735817
1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 25135144
1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea
CID 159977763

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide (CID 24889618) is 1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide is CNC(=O)C1(c2cc(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c3c(N)nn(C)c3n2)CC1.
What is the InChIKey of 1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is ISDISJHXROEIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O2/c1-14-4-9-18(27)19(12-14)31-25(36)30-16-7-5-15(6-8-16)17-13-20(26(10-11-26)24(35)29-2)32-23-21(17)22(28)33-34(23)3/h4-9,12-13H,10-11H2,1-3H3,(H2,28,33)(H,29,35)(H2,30,31,36).
What are the key properties of 1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide?
1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 4.09, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 24889618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).