N-[6-(2-hydroxypropan-2-yl)-2-(4-methylsulfonylcyclohexyl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide

C28H32N4O5S — CID 174333776

IUPACN-[6-(2-hydroxypropan-2-yl)-2-(4-methylsulfonylcyclohexyl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2nc(C(=O)Nc3cc4cc(C5CCC(S(C)(=O)=O)CC5)nn4cc3C(C)(C)O)co2)c1
InChIInChI=1S/C28H32N4O5S/c1-17-6-5-7-19(12-17)27-30-25(16-37-27)26(33)29-24-14-20-13-23(31-32(20)15-22(24)28(2,3)34)18-8-10-21(11-9-18)38(4,35)36/h5-7,12-16,18,21,34H,8-11H2,1-4H3,(H,29,33)
InChIKeyHZZKNDJEIIUKBB-UHFFFAOYSA-N
MW536.65 g/mol
LogP4.85
Rot. Bonds6

About N-[6-(2-hydroxypropan-2-yl)-2-(4-methylsulfonylcyclohexyl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide

N-[6-(2-hydroxypropan-2-yl)-2-(4-methylsulfonylcyclohexyl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 174333776) has the molecular formula C28H32N4O5S and a molecular weight of 536.65 g/mol. Its IUPAC name is N-[6-(2-hydroxypropan-2-yl)-2-(4-methylsulfonylcyclohexyl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-hydroxypropan-2-yl)-2-(4-methylsulfonylcyclohexyl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID174333776
Molecular FormulaC28H32N4O5S
Molecular Weight536.65 g/mol
Exact Mass536.21
IUPAC NameN-[6-(2-hydroxypropan-2-yl)-2-(4-methylsulfonylcyclohexyl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2nc(C(=O)Nc3cc4cc(C5CCC(S(C)(=O)=O)CC5)nn4cc3C(C)(C)O)co2)c1
InChIInChI=1S/C28H32N4O5S/c1-17-6-5-7-19(12-17)27-30-25(16-37-27)26(33)29-24-14-20-13-23(31-32(20)15-22(24)28(2,3)34)18-8-10-21(11-9-18)38(4,35)36/h5-7,12-16,18,21,34H,8-11H2,1-4H3,(H,29,33)
InChIKeyHZZKNDJEIIUKBB-UHFFFAOYSA-N
XLogP4.85
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.65
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 174333777
N-[6-(3-hydroxypyrrolidin-1-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 174333782
N-[2-(2-azaspiro[3.4]octan-6-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 174333942
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 164567526
ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155186639
2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 84552918
ethyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155186656
2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 170361614
N-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 170361566
2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552788
N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide
CID 170238978
ethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155186426

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-(4-methylsulfonylcyclohexyl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-(4-methylsulfonylcyclohexyl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 174333776) is N-[6-(2-hydroxypropan-2-yl)-2-(4-methylsulfonylcyclohexyl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(2-hydroxypropan-2-yl)-2-(4-methylsulfonylcyclohexyl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(2-hydroxypropan-2-yl)-2-(4-methylsulfonylcyclohexyl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1cccc(-c2nc(C(=O)Nc3cc4cc(C5CCC(S(C)(=O)=O)CC5)nn4cc3C(C)(C)O)co2)c1.
What is the InChIKey of N-[6-(2-hydroxypropan-2-yl)-2-(4-methylsulfonylcyclohexyl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HZZKNDJEIIUKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5S/c1-17-6-5-7-19(12-17)27-30-25(16-37-27)26(33)29-24-14-20-13-23(31-32(20)15-22(24)28(2,3)34)18-8-10-21(11-9-18)38(4,35)36/h5-7,12-16,18,21,34H,8-11H2,1-4H3,(H,29,33).
What are the key properties of N-[6-(2-hydroxypropan-2-yl)-2-(4-methylsulfonylcyclohexyl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[6-(2-hydroxypropan-2-yl)-2-(4-methylsulfonylcyclohexyl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 536.65 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxypropan-2-yl)-2-(4-methylsulfonylcyclohexyl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 174333776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).