7-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C21H13F4N7O — CID 178092968

IUPAC7-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNc1n[nH]c2cncc(-c3ccn4c(C(=O)Nc5cc(C(F)(F)F)ccc5F)cnc4c3)c12
InChIInChI=1S/C21H13F4N7O/c22-13-2-1-11(21(23,24)25)6-14(13)29-20(33)16-9-28-17-5-10(3-4-32(16)17)12-7-27-8-15-18(12)19(26)31-30-15/h1-9H,(H,29,33)(H3,26,30,31)
InChIKeyOJUXXQKAVMVWAL-UHFFFAOYSA-N
MW455.38 g/mol
LogP4.26
Rot. Bonds3

About 7-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

7-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 178092968) has the molecular formula C21H13F4N7O and a molecular weight of 455.38 g/mol. Its IUPAC name is 7-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID178092968
Molecular FormulaC21H13F4N7O
Molecular Weight455.38 g/mol
Exact Mass455.11
IUPAC Name7-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNc1n[nH]c2cncc(-c3ccn4c(C(=O)Nc5cc(C(F)(F)F)ccc5F)cnc4c3)c12
InChIInChI=1S/C21H13F4N7O/c22-13-2-1-11(21(23,24)25)6-14(13)29-20(33)16-9-28-17-5-10(3-4-32(16)17)12-7-27-8-15-18(12)19(26)31-30-15/h1-9H,(H,29,33)(H3,26,30,31)
InChIKeyOJUXXQKAVMVWAL-UHFFFAOYSA-N
XLogP4.26
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.38
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-[8-amino-5-(azetidin-3-ylmethyl)-3-methylimidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 178092901
7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 178093275
ethane;N-[2-fluoro-5-(trifluoromethyl)phenyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 178092728
7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 178092979
7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 178092732
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81234405
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68622685
7-bromo-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 178093219
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65359614
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 115330823
7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 178093092
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 63038394

Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 178092968) is 7-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Nc1n[nH]c2cncc(-c3ccn4c(C(=O)Nc5cc(C(F)(F)F)ccc5F)cnc4c3)c12.
What is the InChIKey of 7-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OJUXXQKAVMVWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N7O/c22-13-2-1-11(21(23,24)25)6-14(13)29-20(33)16-9-28-17-5-10(3-4-32(16)17)12-7-27-8-15-18(12)19(26)31-30-15/h1-9H,(H,29,33)(H3,26,30,31).
What are the key properties of 7-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
7-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 455.38 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 178092968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).