N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C24H19F4N5O — CID 59463680

IUPACN-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCn1nc(N)c2c(-c3ccc(NC(=O)C4(c5cc(C(F)(F)F)ccc5F)CC4)cc3)ccnc21
InChIInChI=1S/C24H19F4N5O/c1-33-21-19(20(29)32-33)16(8-11-30-21)13-2-5-15(6-3-13)31-22(34)23(9-10-23)17-12-14(24(26,27)28)4-7-18(17)25/h2-8,11-12H,9-10H2,1H3,(H2,29,32)(H,31,34)
InChIKeyAIWVXQZBSIHMOF-UHFFFAOYSA-N
MW469.44 g/mol
LogP5.05
Rot. Bonds4

About N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 59463680) has the molecular formula C24H19F4N5O and a molecular weight of 469.44 g/mol. Its IUPAC name is N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID59463680
Molecular FormulaC24H19F4N5O
Molecular Weight469.44 g/mol
Exact Mass469.15
IUPAC NameN-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCn1nc(N)c2c(-c3ccc(NC(=O)C4(c5cc(C(F)(F)F)ccc5F)CC4)cc3)ccnc21
InChIInChI=1S/C24H19F4N5O/c1-33-21-19(20(29)32-33)16(8-11-30-21)13-2-5-15(6-3-13)31-22(34)23(9-10-23)17-12-14(24(26,27)28)4-7-18(17)25/h2-8,11-12H,9-10H2,1H3,(H2,29,32)(H,31,34)
InChIKeyAIWVXQZBSIHMOF-UHFFFAOYSA-N
XLogP5.05
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.44
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 59463680) is N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(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-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is Cn1nc(N)c2c(-c3ccc(NC(=O)C4(c5cc(C(F)(F)F)ccc5F)CC4)cc3)ccnc21.
What is the InChIKey of N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is AIWVXQZBSIHMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O/c1-33-21-19(20(29)32-33)16(8-11-30-21)13-2-5-15(6-3-13)31-22(34)23(9-10-23)17-12-14(24(26,27)28)4-7-18(17)25/h2-8,11-12H,9-10H2,1H3,(H2,29,32)(H,31,34).
What are the key properties of N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 469.44 g/mol, XLogP of 5.05, 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-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59463680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).