N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide

C21H16F3N5O2 — CID 126603582

IUPACN-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide
SMILESCC1OC=CC1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12
InChIInChI=1S/C21H16F3N5O2/c1-12-15(6-7-31-12)20(30)27-19-16-8-13(9-25)2-4-17(16)29(28-19)11-14-3-5-18(26-10-14)21(22,23)24/h2-8,10,12,15H,11H2,1H3,(H,27,28,30)
InChIKeyDATOHSNYDRAKET-UHFFFAOYSA-N
MW427.39 g/mol
LogP3.86
Rot. Bonds4

About N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide

N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide (PubChem CID 126603582) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide
PubChem CID126603582
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC NameN-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide
SMILESCC1OC=CC1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12
InChIInChI=1S/C21H16F3N5O2/c1-12-15(6-7-31-12)20(30)27-19-16-8-13(9-25)2-4-17(16)29(28-19)11-14-3-5-18(26-10-14)21(22,23)24/h2-8,10,12,15H,11H2,1H3,(H,27,28,30)
InChIKeyDATOHSNYDRAKET-UHFFFAOYSA-N
XLogP3.86
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,2-thiazole-5-carboxamide
CID 162473932
N-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide
CID 129202995
2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118335413
3-fluoro-4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]benzonitrile
CID 146650827
(4-methyl-1,3-thiazol-5-yl)-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]amino]methanol
CID 129203012
5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine
CID 167952603
1-[(4-cyanophenyl)methyl]-5-fluoroindazole-3-carboxylic acid
CID 66857727
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine
CID 159404761
4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
CID 118326010
N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 129203011
6-bromo-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118678367
1-[(2S)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079795

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide?
The IUPAC name of N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide (CID 126603582) is N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide.
What is the SMILES notation for N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide?
The canonical SMILES for N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide is CC1OC=CC1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.
What is the InChIKey of N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide?
The InChIKey is DATOHSNYDRAKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c1-12-15(6-7-31-12)20(30)27-19-16-8-13(9-25)2-4-17(16)29(28-19)11-14-3-5-18(26-10-14)21(22,23)24/h2-8,10,12,15H,11H2,1H3,(H,27,28,30).
What are the key properties of N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide?
N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide has a molecular weight of 427.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide is sourced from PubChem (CID 126603582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).