N-[2-fluoro-5-[2-[(2S,3S,6R)-3-hydroxy-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

C28H32FN7O3 — CID 71283060

IUPACN-[2-fluoro-5-[2-[(2S,3S,6R)-3-hydroxy-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESC[C@@H]1CC[C@H](O)[C@H](C)N1CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccnn4C)ccn23)c1
InChIInChI=1S/C28H32FN7O3/c1-17-4-7-25(37)18(2)35(17)13-11-30-27(38)20-5-6-21(29)22(14-20)33-28(39)24-16-31-26-15-19(9-12-36(24)26)23-8-10-32-34(23)3/h5-6,8-10,12,14-18,25,37H,4,7,11,13H2,1-3H3,(H,30,38)(H,33,39)/t17-,18+,25+/m1/s1
InChIKeyQRZPYFWNURTRGX-UZEJHQAJSA-N
MW533.61 g/mol
LogP3.09
Rot. Bonds7

About N-[2-fluoro-5-[2-[(2S,3S,6R)-3-hydroxy-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[2-fluoro-5-[2-[(2S,3S,6R)-3-hydroxy-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71283060) has the molecular formula C28H32FN7O3 and a molecular weight of 533.61 g/mol. Its IUPAC name is N-[2-fluoro-5-[2-[(2S,3S,6R)-3-hydroxy-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[2-[(2S,3S,6R)-3-hydroxy-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71283060
Molecular FormulaC28H32FN7O3
Molecular Weight533.61 g/mol
Exact Mass533.26
IUPAC NameN-[2-fluoro-5-[2-[(2S,3S,6R)-3-hydroxy-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESC[C@@H]1CC[C@H](O)[C@H](C)N1CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccnn4C)ccn23)c1
InChIInChI=1S/C28H32FN7O3/c1-17-4-7-25(37)18(2)35(17)13-11-30-27(38)20-5-6-21(29)22(14-20)33-28(39)24-16-31-26-15-19(9-12-36(24)26)23-8-10-32-34(23)3/h5-6,8-10,12,14-18,25,37H,4,7,11,13H2,1-3H3,(H,30,38)(H,33,39)/t17-,18+,25+/m1/s1
InChIKeyQRZPYFWNURTRGX-UZEJHQAJSA-N
XLogP3.09
TPSA116.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.61
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-fluoro-5-[2-[(2S,3S,6R)-3-hydroxy-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[2-[(2S,3S,6R)-3-hydroxy-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[2-[(2S,3S,6R)-3-hydroxy-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 71283060) is N-[2-fluoro-5-[2-[(2S,3S,6R)-3-hydroxy-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[2-[(2S,3S,6R)-3-hydroxy-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[2-[(2S,3S,6R)-3-hydroxy-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is C[C@@H]1CC[C@H](O)[C@H](C)N1CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccnn4C)ccn23)c1.
What is the InChIKey of N-[2-fluoro-5-[2-[(2S,3S,6R)-3-hydroxy-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is QRZPYFWNURTRGX-UZEJHQAJSA-N. The full InChI is InChI=1S/C28H32FN7O3/c1-17-4-7-25(37)18(2)35(17)13-11-30-27(38)20-5-6-21(29)22(14-20)33-28(39)24-16-31-26-15-19(9-12-36(24)26)23-8-10-32-34(23)3/h5-6,8-10,12,14-18,25,37H,4,7,11,13H2,1-3H3,(H,30,38)(H,33,39)/t17-,18+,25+/m1/s1.
What are the key properties of N-[2-fluoro-5-[2-[(2S,3S,6R)-3-hydroxy-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-fluoro-5-[2-[(2S,3S,6R)-3-hydroxy-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 533.61 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[2-[(2S,3S,6R)-3-hydroxy-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71283060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).