N-(2-fluoroethyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide

C22H26FN5O — CID 10178823

IUPACN-(2-fluoroethyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide
SMILESO=C(NCCF)C(c1ccccc1)N1CCCC(Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C22H26FN5O/c23-10-11-24-22(29)21(16-5-2-1-3-6-16)28-12-4-7-19(15-28)26-18-8-9-20-17(13-18)14-25-27-20/h1-3,5-6,8-9,13-14,19,21,26H,4,7,10-12,15H2,(H,24,29)(H,25,27)
InChIKeyYPKYQWFYIHNKDX-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.27
Rot. Bonds7

About N-(2-fluoroethyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide

N-(2-fluoroethyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide (PubChem CID 10178823) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide
PubChem CID10178823
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC NameN-(2-fluoroethyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide
SMILESO=C(NCCF)C(c1ccccc1)N1CCCC(Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C22H26FN5O/c23-10-11-24-22(29)21(16-5-2-1-3-6-16)28-12-4-7-19(15-28)26-18-8-9-20-17(13-18)14-25-27-20/h1-3,5-6,8-9,13-14,19,21,26H,4,7,10-12,15H2,(H,24,29)(H,25,27)
InChIKeyYPKYQWFYIHNKDX-UHFFFAOYSA-N
XLogP3.27
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone
CID 117073044
[3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone
CID 117073836
N-[1-(2-fluorophenyl)piperidin-3-yl]-1H-indazol-5-amine
CID 143370381
N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 62976152
2-amino-2-(3-fluorophenyl)-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]ethanone
CID 117073145
2-(4-bromo-2-fluorophenyl)-2-hydroxy-1-[3-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone
CID 117073165
2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethyl benzoate
CID 66716183
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenyl]methanesulfonamide
CID 58022478
2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 117073054
N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022462
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide?
The IUPAC name of N-(2-fluoroethyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide (CID 10178823) is N-(2-fluoroethyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-(2-fluoroethyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-(2-fluoroethyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide is O=C(NCCF)C(c1ccccc1)N1CCCC(Nc2ccc3[nH]ncc3c2)C1.
What is the InChIKey of N-(2-fluoroethyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide?
The InChIKey is YPKYQWFYIHNKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c23-10-11-24-22(29)21(16-5-2-1-3-6-16)28-12-4-7-19(15-28)26-18-8-9-20-17(13-18)14-25-27-20/h1-3,5-6,8-9,13-14,19,21,26H,4,7,10-12,15H2,(H,24,29)(H,25,27).
What are the key properties of N-(2-fluoroethyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide?
N-(2-fluoroethyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide has a molecular weight of 395.48 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 10178823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).