N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide

C22H21F3N4O — CID 162762200

IUPACN-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide
SMILESC[C@@H](NC(=O)c1cc(C2=CCNCC2)cc2cn[nH]c12)c1cccc(C(F)F)c1F
InChIInChI=1S/C22H21F3N4O/c1-12(16-3-2-4-17(19(16)23)21(24)25)28-22(30)18-10-14(13-5-7-26-8-6-13)9-15-11-27-29-20(15)18/h2-5,9-12,21,26H,6-8H2,1H3,(H,27,29)(H,28,30)/t12-/m1/s1
InChIKeyXLDLEULZXSSSFV-GFCCVEGCSA-N
MW414.43 g/mol
LogP4.51
Rot. Bonds5

About N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide

N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide (PubChem CID 162762200) has the molecular formula C22H21F3N4O and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide
PubChem CID162762200
Molecular FormulaC22H21F3N4O
Molecular Weight414.43 g/mol
Exact Mass414.17
IUPAC NameN-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide
SMILESC[C@@H](NC(=O)c1cc(C2=CCNCC2)cc2cn[nH]c12)c1cccc(C(F)F)c1F
InChIInChI=1S/C22H21F3N4O/c1-12(16-3-2-4-17(19(16)23)21(24)25)28-22(30)18-10-14(13-5-7-26-8-6-13)9-15-11-27-29-20(15)18/h2-5,9-12,21,26H,6-8H2,1H3,(H,27,29)(H,28,30)/t12-/m1/s1
InChIKeyXLDLEULZXSSSFV-GFCCVEGCSA-N
XLogP4.51
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide
CID 162762537
tert-butyl 4-[7-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]carbamoyl]-1H-indazol-5-yl]piperazine-1-carboxylate
CID 164564377
N-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 175446706
5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 164564411
tert-butyl 4-[7-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]carbamoyl]-2H-benzotriazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 164564415
6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[2-fluoro-3-(1-fluoroethyl)phenyl]ethyl]-2H-benzotriazole-4-carboxamide
CID 167151118
4-[4-[1-[3-(difluoromethyl)-2-fluorophenyl]ethylamino]-2-methylpyrido[2,3-d]pyrimidin-6-yl]cyclohex-3-ene-1-carboxylic acid
CID 175378270
2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid
CID 75516569
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-8,9-dihydrofuro[2,3-h]quinazolin-4-amine
CID 166889791
2-amino-4-(difluoromethyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-morpholin-4-ylbenzamide
CID 170630178
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-fluoro-5-morpholin-4-yl-2-(piperidin-4-ylamino)benzamide
CID 176888794
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 51645764

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide?
The IUPAC name of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide (CID 162762200) is N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide is C[C@@H](NC(=O)c1cc(C2=CCNCC2)cc2cn[nH]c12)c1cccc(C(F)F)c1F.
What is the InChIKey of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide?
The InChIKey is XLDLEULZXSSSFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H21F3N4O/c1-12(16-3-2-4-17(19(16)23)21(24)25)28-22(30)18-10-14(13-5-7-26-8-6-13)9-15-11-27-29-20(15)18/h2-5,9-12,21,26H,6-8H2,1H3,(H,27,29)(H,28,30)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide?
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 4.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole-7-carboxamide is sourced from PubChem (CID 162762200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).