N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(trifluoromethoxy)-1H-indazole-3-carboxamide

C22H16F3N5O4 — CID 51347251

IUPACN-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(trifluoromethoxy)-1H-indazole-3-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3n[nH]c4ccc(OC(F)(F)F)cc34)cc2)ccn1
InChIInChI=1S/C22H16F3N5O4/c1-26-20(31)18-11-14(8-9-27-18)33-13-4-2-12(3-5-13)28-21(32)19-16-10-15(34-22(23,24)25)6-7-17(16)29-30-19/h2-11H,1H3,(H,26,31)(H,28,32)(H,29,30)
InChIKeyYASMSKFERQBPRC-UHFFFAOYSA-N
MW471.40 g/mol
LogP4.26
Rot. Bonds6

About N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(trifluoromethoxy)-1H-indazole-3-carboxamide

N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(trifluoromethoxy)-1H-indazole-3-carboxamide (PubChem CID 51347251) has the molecular formula C22H16F3N5O4 and a molecular weight of 471.40 g/mol. Its IUPAC name is N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(trifluoromethoxy)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(trifluoromethoxy)-1H-indazole-3-carboxamide
PubChem CID51347251
Molecular FormulaC22H16F3N5O4
Molecular Weight471.40 g/mol
Exact Mass471.12
IUPAC NameN-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(trifluoromethoxy)-1H-indazole-3-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3n[nH]c4ccc(OC(F)(F)F)cc34)cc2)ccn1
InChIInChI=1S/C22H16F3N5O4/c1-26-20(31)18-11-14(8-9-27-18)33-13-4-2-12(3-5-13)28-21(32)19-16-10-15(34-22(23,24)25)6-7-17(16)29-30-19/h2-11H,1H3,(H,26,31)(H,28,32)(H,29,30)
InChIKeyYASMSKFERQBPRC-UHFFFAOYSA-N
XLogP4.26
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.40
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 52933916
(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 162679119
(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 46968760
N-methyl-3-pyridin-4-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 56596227
N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 56596231
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 57394348
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 66576377
N-methyl-3-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 67124352
5-methoxy-N-[(1-{3-[(phenylcarbonyl)amino]propyl}piperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 71714698
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-phenoxybenzamide
CID 72704103
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide
CID 89463230
sodium 5-[[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 89767330

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(trifluoromethoxy)-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(trifluoromethoxy)-1H-indazole-3-carboxamide (CID 51347251) is N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(trifluoromethoxy)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(trifluoromethoxy)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(trifluoromethoxy)-1H-indazole-3-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)c3n[nH]c4ccc(OC(F)(F)F)cc34)cc2)ccn1.
What is the InChIKey of N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(trifluoromethoxy)-1H-indazole-3-carboxamide?
The InChIKey is YASMSKFERQBPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O4/c1-26-20(31)18-11-14(8-9-27-18)33-13-4-2-12(3-5-13)28-21(32)19-16-10-15(34-22(23,24)25)6-7-17(16)29-30-19/h2-11H,1H3,(H,26,31)(H,28,32)(H,29,30).
What are the key properties of N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(trifluoromethoxy)-1H-indazole-3-carboxamide?
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(trifluoromethoxy)-1H-indazole-3-carboxamide has a molecular weight of 471.40 g/mol, XLogP of 4.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-5-(trifluoromethoxy)-1H-indazole-3-carboxamide is sourced from PubChem (CID 51347251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).