2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide

C28H33N7O4 — CID 170361497

IUPAC2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3N3CCCCC3)co2)ccn1
InChIInChI=1S/C28H33N7O4/c1-18(36)30-24-13-19(8-10-29-24)27-33-22(17-39-27)26(37)32-21-16-35-15-20(7-9-28(2,3)38)31-25(35)14-23(21)34-11-5-4-6-12-34/h8,10,13-17,38H,4-7,9,11-12H2,1-3H3,(H,32,37)(H,29,30,36)
InChIKeyRIKRKJQWCBBNFO-UHFFFAOYSA-N
MW531.62 g/mol
LogP4.29
Rot. Bonds8

About 2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide

2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide (PubChem CID 170361497) has the molecular formula C28H33N7O4 and a molecular weight of 531.62 g/mol. Its IUPAC name is 2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
PubChem CID170361497
Molecular FormulaC28H33N7O4
Molecular Weight531.62 g/mol
Exact Mass531.26
IUPAC Name2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3N3CCCCC3)co2)ccn1
InChIInChI=1S/C28H33N7O4/c1-18(36)30-24-13-19(8-10-29-24)27-33-22(17-39-27)26(37)32-21-16-35-15-20(7-9-28(2,3)38)31-25(35)14-23(21)34-11-5-4-6-12-34/h8,10,13-17,38H,4-7,9,11-12H2,1-3H3,(H,32,37)(H,29,30,36)
InChIKeyRIKRKJQWCBBNFO-UHFFFAOYSA-N
XLogP4.29
TPSA137.89 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.62
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 155483924
ethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
CID 155484023
2-[2-(methylamino)-4-pyridinyl]-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 118226407
N-[7-(4-acetylpiperazin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
CID 164991898
2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide
CID 118226401
N-[4-amino-5-(methyliminomethyl)-2-pyrrolidin-1-ylphenyl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 138457202
N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
CID 165012438
N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 52913876
N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 118060838
N-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 118061043
N-[1-(4-tert-butylphenyl)-3-(3-hydroxypropyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 138727221
N-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 118070537

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide (CID 170361497) is 2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide is CC(=O)Nc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3N3CCCCC3)co2)ccn1.
What is the InChIKey of 2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is RIKRKJQWCBBNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O4/c1-18(36)30-24-13-19(8-10-29-24)27-33-22(17-39-27)26(37)32-21-16-35-15-20(7-9-28(2,3)38)31-25(35)14-23(21)34-11-5-4-6-12-34/h8,10,13-17,38H,4-7,9,11-12H2,1-3H3,(H,32,37)(H,29,30,36).
What are the key properties of 2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide?
2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 531.62 g/mol, XLogP of 4.29, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170361497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).