N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C24H20F3N5O — CID 59463673

IUPACN-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCn1nc(N)c2c(-c3ccc(NC(=O)C4(c5cccc(C(F)(F)F)c5)CC4)cc3)ccnc21
InChIInChI=1S/C24H20F3N5O/c1-32-21-19(20(28)31-32)18(9-12-29-21)14-5-7-17(8-6-14)30-22(33)23(10-11-23)15-3-2-4-16(13-15)24(25,26)27/h2-9,12-13H,10-11H2,1H3,(H2,28,31)(H,30,33)
InChIKeyVLKOMXNZZTUUNX-UHFFFAOYSA-N
MW451.45 g/mol
LogP4.91
Rot. Bonds4

About N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 59463673) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID59463673
Molecular FormulaC24H20F3N5O
Molecular Weight451.45 g/mol
Exact Mass451.16
IUPAC NameN-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCn1nc(N)c2c(-c3ccc(NC(=O)C4(c5cccc(C(F)(F)F)c5)CC4)cc3)ccnc21
InChIInChI=1S/C24H20F3N5O/c1-32-21-19(20(28)31-32)18(9-12-29-21)14-5-7-17(8-6-14)30-22(33)23(10-11-23)15-3-2-4-16(13-15)24(25,26)27/h2-9,12-13H,10-11H2,1H3,(H2,28,31)(H,30,33)
InChIKeyVLKOMXNZZTUUNX-UHFFFAOYSA-N
XLogP4.91
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
Gsk-2606414
CID 53469448
4-Ethyl-N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)-3-(pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
CID 71550931
N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide
CID 71562418
1-[5-(4-Amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57519740
(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
B-Raf IN 1
CID 24884503
1-{4-[4-Amino-1-(1-Methylethyl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]phenyl}-3-[3-(Trifluoromethyl)phenyl]urea
CID 25011745
n-[4-(3-Amino-1h-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-n'-(3-methylphenyl)urea
CID 11646161
1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3,5-dimethylphenyl)urea
CID 11660744
1-[4-(3-amino-1H-pyrazolo[3,4-b]pyrid-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 11710567
N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 53234586

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 59463673) is N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is Cn1nc(N)c2c(-c3ccc(NC(=O)C4(c5cccc(C(F)(F)F)c5)CC4)cc3)ccnc21.
What is the InChIKey of N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is VLKOMXNZZTUUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O/c1-32-21-19(20(28)31-32)18(9-12-29-21)14-5-7-17(8-6-14)30-22(33)23(10-11-23)15-3-2-4-16(13-15)24(25,26)27/h2-9,12-13H,10-11H2,1H3,(H2,28,31)(H,30,33).
What are the key properties of N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59463673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).