N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide

C28H28N6O — CID 68622762

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1
InChIInChI=1S/C28H28N6O/c1-28(2,3)24-17-26(33(4)32-24)31-27(35)15-19-5-7-21(8-6-19)23-18-30-25-16-22(11-14-34(23)25)20-9-12-29-13-10-20/h5-14,16-18H,15H2,1-4H3,(H,31,35)
InChIKeyFUJFFCSXGNEAJZ-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.28
Rot. Bonds5

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide (PubChem CID 68622762) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
PubChem CID68622762
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1
InChIInChI=1S/C28H28N6O/c1-28(2,3)24-17-26(33(4)32-24)31-27(35)15-19-5-7-21(8-6-19)23-18-30-25-16-22(11-14-34(23)25)20-9-12-29-13-10-20/h5-14,16-18H,15H2,1-4H3,(H,31,35)
InChIKeyFUJFFCSXGNEAJZ-UHFFFAOYSA-N
XLogP5.28
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68622685
7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 53393117
N-[3-(2,2-dimethylpropanoyl)phenyl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68622604
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[7-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]acetamide
CID 162395302
tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate
CID 68543160
N-(3-acetylphenyl)-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68621927
4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline
CID 68541986
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]urea
CID 68622012
2-[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 68542885
1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
CID 174621514
2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide
CID 68621684
7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 178093095

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide (CID 68622762) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide is Cn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?
The InChIKey is FUJFFCSXGNEAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c1-28(2,3)24-17-26(33(4)32-24)31-27(35)15-19-5-7-21(8-6-19)23-18-30-25-16-22(11-14-34(23)25)20-9-12-29-13-10-20/h5-14,16-18H,15H2,1-4H3,(H,31,35).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide has a molecular weight of 464.57 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 68622762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).