3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide

C21H22FN7O2 — CID 175080909

IUPAC3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccc(C(=O)Nc3cc(F)ccn3)cc2)nc(C2CCCCN2)n1N
InChIInChI=1S/C21H22FN7O2/c22-14-8-10-26-16(11-14)27-21(31)13-6-4-12(5-7-13)17-18(19(23)30)29(24)20(28-17)15-3-1-2-9-25-15/h4-8,10-11,15,25H,1-3,9,24H2,(H2,23,30)(H,26,27,31)
InChIKeyRDOGVFMXQPXEEJ-UHFFFAOYSA-N
MW423.45 g/mol
LogP1.96
Rot. Bonds5

About 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide

3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide (PubChem CID 175080909) has the molecular formula C21H22FN7O2 and a molecular weight of 423.45 g/mol. Its IUPAC name is 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide
PubChem CID175080909
Molecular FormulaC21H22FN7O2
Molecular Weight423.45 g/mol
Exact Mass423.18
IUPAC Name3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccc(C(=O)Nc3cc(F)ccn3)cc2)nc(C2CCCCN2)n1N
InChIInChI=1S/C21H22FN7O2/c22-14-8-10-26-16(11-14)27-21(31)13-6-4-12(5-7-13)17-18(19(23)30)29(24)20(28-17)15-3-1-2-9-25-15/h4-8,10-11,15,25H,1-3,9,24H2,(H2,23,30)(H,26,27,31)
InChIKeyRDOGVFMXQPXEEJ-UHFFFAOYSA-N
XLogP1.96
TPSA140.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide
CID 175076082
3-amino-5-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide
CID 155307248
4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide
CID 71226257
3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 167586623
tert-butyl 2-[1-amino-5-carbamoyl-4-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylate
CID 155307510
3-amino-5-[4-[[4-(4-isocyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;3-amino-5-[4-[[4-(4-isocyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazole-4-carboxamide;prop-2-enoyl chloride
CID 167624231
4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 155307415
3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-1-(3-methylbut-2-enoyl)pyrrolidin-2-yl]imidazole-4-carboxamide;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]imidazole-4-carboxamide;3-methylbut-2-enoyl chloride
CID 167627471
(2S)-2-[1-amino-4-[4-[(4-bromo-2-pyridinyl)carbamoyl]phenyl]-5-carbamoylimidazol-2-yl]piperidine-1-carboxylic acid
CID 175072796
3-amino-5-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-1-prop-1-ynylpiperidin-2-yl]imidazole-4-carboxamide
CID 175072662
3-amino-2-[1-(2-fluoroprop-2-enoyl)piperidin-2-yl]-5-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]imidazole-4-carboxamide
CID 155307455
3-amino-5-[4-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;2,2,2-trifluoroacetaldehyde
CID 167559017

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide?
The IUPAC name of 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide (CID 175080909) is 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide is NC(=O)c1c(-c2ccc(C(=O)Nc3cc(F)ccn3)cc2)nc(C2CCCCN2)n1N.
What is the InChIKey of 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide?
The InChIKey is RDOGVFMXQPXEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O2/c22-14-8-10-26-16(11-14)27-21(31)13-6-4-12(5-7-13)17-18(19(23)30)29(24)20(28-17)15-3-1-2-9-25-15/h4-8,10-11,15,25H,1-3,9,24H2,(H2,23,30)(H,26,27,31).
What are the key properties of 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide?
3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 1.96, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 175080909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).