N-[[3-[5-fluoro-7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide

C22H24F5N7O2 — CID 171531537

IUPACN-[[3-[5-fluoro-7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide
SMILESCN1CC[C@@H](Nc2cc(F)cc3c(CC(F)(F)F)n(-c4noc(CNC(=O)C5CC5)n4)nc23)[C@@H](F)C1
InChIInChI=1S/C22H24F5N7O2/c1-33-5-4-15(14(24)10-33)29-16-7-12(23)6-13-17(8-22(25,26)27)34(31-19(13)16)21-30-18(36-32-21)9-28-20(35)11-2-3-11/h6-7,11,14-15,29H,2-5,8-10H2,1H3,(H,28,35)/t14-,15+/m0/s1
InChIKeyUKKKXAMVRHOMLD-LSDHHAIUSA-N
MW513.47 g/mol
LogP3.13
Rot. Bonds7

About N-[[3-[5-fluoro-7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide

N-[[3-[5-fluoro-7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide (PubChem CID 171531537) has the molecular formula C22H24F5N7O2 and a molecular weight of 513.47 g/mol. Its IUPAC name is N-[[3-[5-fluoro-7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[3-[5-fluoro-7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide
PubChem CID171531537
Molecular FormulaC22H24F5N7O2
Molecular Weight513.47 g/mol
Exact Mass513.19
IUPAC NameN-[[3-[5-fluoro-7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide
SMILESCN1CC[C@@H](Nc2cc(F)cc3c(CC(F)(F)F)n(-c4noc(CNC(=O)C5CC5)n4)nc23)[C@@H](F)C1
InChIInChI=1S/C22H24F5N7O2/c1-33-5-4-15(14(24)10-33)29-16-7-12(23)6-13-17(8-22(25,26)27)34(31-19(13)16)21-30-18(36-32-21)9-28-20(35)11-2-3-11/h6-7,11,14-15,29H,2-5,8-10H2,1H3,(H,28,35)/t14-,15+/m0/s1
InChIKeyUKKKXAMVRHOMLD-LSDHHAIUSA-N
XLogP3.13
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[3-[5-fluoro-7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide with MolForge

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Related Compounds

1-tert-butyl-N-[[3-[7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(1,1,2,2,2-pentafluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide
CID 171531987
N-[[3-[11,11-difluoro-5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-12-thia-13-azatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide
CID 176992346
N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 166562375
1-tert-butyl-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazole-4-carboxamide
CID 157047378
1-tert-butyl-N-[[3-[7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrole-3-carboxamide
CID 171531955
N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide
CID 157048245
5-chloro-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]thiophene-3-carboxamide
CID 157047830
N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylimidazole-4-carboxamide
CID 166562343
1-(3,3-difluorocyclopentyl)-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide
CID 157047668
N-[[3-[4-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 167524938
N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]indolizine-2-carboxamide
CID 157047476
N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-(1-fluoropropan-2-yl)pyrrole-3-carboxamide
CID 157047950

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-fluoro-7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[3-[5-fluoro-7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide (CID 171531537) is N-[[3-[5-fluoro-7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[3-[5-fluoro-7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[3-[5-fluoro-7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide is CN1CC[C@@H](Nc2cc(F)cc3c(CC(F)(F)F)n(-c4noc(CNC(=O)C5CC5)n4)nc23)[C@@H](F)C1.
What is the InChIKey of N-[[3-[5-fluoro-7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide?
The InChIKey is UKKKXAMVRHOMLD-LSDHHAIUSA-N. The full InChI is InChI=1S/C22H24F5N7O2/c1-33-5-4-15(14(24)10-33)29-16-7-12(23)6-13-17(8-22(25,26)27)34(31-19(13)16)21-30-18(36-32-21)9-28-20(35)11-2-3-11/h6-7,11,14-15,29H,2-5,8-10H2,1H3,(H,28,35)/t14-,15+/m0/s1.
What are the key properties of N-[[3-[5-fluoro-7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide?
N-[[3-[5-fluoro-7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide has a molecular weight of 513.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-fluoro-7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(2,2,2-trifluoroethyl)indazol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 171531537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).