N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide

C22H14F3N5O2 — CID 51347402

IUPACN-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1n[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C22H14F3N5O2/c23-22(24,25)12-1-6-17-16(11-12)19(30-29-17)21(31)28-13-2-4-14(5-3-13)32-18-8-10-27-20-15(18)7-9-26-20/h1-11H,(H,26,27)(H,28,31)(H,29,30)
InChIKeyGXIMMAJBODWWIQ-UHFFFAOYSA-N
MW437.38 g/mol
LogP5.50
Rot. Bonds4

About N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide

N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide (PubChem CID 51347402) has the molecular formula C22H14F3N5O2 and a molecular weight of 437.38 g/mol. Its IUPAC name is N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide
PubChem CID51347402
Molecular FormulaC22H14F3N5O2
Molecular Weight437.38 g/mol
Exact Mass437.11
IUPAC NameN-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1n[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C22H14F3N5O2/c23-22(24,25)12-1-6-17-16(11-12)19(30-29-17)21(31)28-13-2-4-14(5-3-13)32-18-8-10-27-20-15(18)7-9-26-20/h1-11H,(H,26,27)(H,28,31)(H,29,30)
InChIKeyGXIMMAJBODWWIQ-UHFFFAOYSA-N
XLogP5.50
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.38
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-6-phenylpyridine-2-carboxamide
CID 21081778
2-[(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)carbamoyl]-1-oxido-6-phenylpyridin-1-ium
CID 24901689
2-[(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)carbamoyl]-6-(4-fluorophenyl)-1-oxidopyridin-1-ium
CID 24901690
N-tert-butyl-2-(5-(difluoromethoxy)-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280456
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 54765280
6-(4-(1-(1H-imidazol-2-yl)cyclopropyl)phenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 10345579
N-(3-(3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-4-methoxyphenyl)-3-(trifluoromethyl)benzamide
CID 46879459
N-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52935064
N-[(3-methoxyphenyl)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52936149
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 54765203
N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 57397801
N-tert-butyl-2-(5-(difluoromethoxy)-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279608

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide (CID 51347402) is N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1n[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The InChIKey is GXIMMAJBODWWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5O2/c23-22(24,25)12-1-6-17-16(11-12)19(30-29-17)21(31)28-13-2-4-14(5-3-13)32-18-8-10-27-20-15(18)7-9-26-20/h1-11H,(H,26,27)(H,28,31)(H,29,30).
What are the key properties of N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide has a molecular weight of 437.38 g/mol, XLogP of 5.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 51347402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).