N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide

C57H57N9O9 — CID 157327904

IUPACN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide
SMILESCC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)ncc2[nH]1.CC(C)(C)C(=O)c1cn2cc(NC(=O)c3ccc(O)cc3)ccc2n1
InChIInChI=1S/3C19H19N3O3/c1-19(2,3)17(24)15-11-22-10-13(6-9-16(22)21-15)20-18(25)12-4-7-14(23)8-5-12;1-19(2,3)16(24)15-9-12-8-13(10-20-17(12)22-15)21-18(25)11-4-6-14(23)7-5-11;1-19(2,3)17(24)14-8-12-9-16(20-10-15(12)21-14)22-18(25)11-4-6-13(23)7-5-11/h4-11,23H,1-3H3,(H,20,25);4-10,23H,1-3H3,(H,20,22)(H,21,25);4-10,21,23H,1-3H3,(H,20,22,25)
InChIKeyBEYGWWSKKLYOJT-UHFFFAOYSA-N
MW1012.14 g/mol
LogP11.02
Rot. Bonds9

About N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide

N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide (PubChem CID 157327904) has the molecular formula C57H57N9O9 and a molecular weight of 1012.14 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide
PubChem CID157327904
Molecular FormulaC57H57N9O9
Molecular Weight1012.14 g/mol
Exact Mass1011.43
IUPAC NameN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide
SMILESCC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)ncc2[nH]1.CC(C)(C)C(=O)c1cn2cc(NC(=O)c3ccc(O)cc3)ccc2n1
InChIInChI=1S/3C19H19N3O3/c1-19(2,3)17(24)15-11-22-10-13(6-9-16(22)21-15)20-18(25)12-4-7-14(23)8-5-12;1-19(2,3)16(24)15-9-12-8-13(10-20-17(12)22-15)21-18(25)11-4-6-14(23)7-5-11;1-19(2,3)17(24)14-8-12-9-16(20-10-15(12)21-14)22-18(25)11-4-6-13(23)7-5-11/h4-11,23H,1-3H3,(H,20,25);4-10,23H,1-3H3,(H,20,22)(H,21,25);4-10,21,23H,1-3H3,(H,20,22,25)
InChIKeyBEYGWWSKKLYOJT-UHFFFAOYSA-N
XLogP11.02
TPSA273.86 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001012.14
LogP ≤ 511.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Analyze N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide with MolForge

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Related Compounds

LU3A693Lfa
CID 91754535
N-[[4-[7-[5-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]-1-bicyclo[2.2.2]octanyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171767555
2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 173143830
N-[[4-[7-[5-[4-[3-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]-1-bicyclo[2.2.2]octanyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 176053446
12-(4-Hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide
CID 58266793
N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide
CID 58408841
N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-5-hydroxy-1H-indole-2-carboxamide
CID 58408857
N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide
CID 58408875
N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide
CID 58409030
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]hexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-1-oxopropan-2-yl]butanediamide
CID 59350425
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-6-aminohexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-1-oxopropan-2-yl]butanediamide
CID 59350429
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]hexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-1-oxopropan-2-yl]butanediamide
CID 59350464

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide?
The IUPAC name of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide (CID 157327904) is N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide?
The canonical SMILES for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide is CC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)ncc2[nH]1.CC(C)(C)C(=O)c1cn2cc(NC(=O)c3ccc(O)cc3)ccc2n1.
What is the InChIKey of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide?
The InChIKey is BEYGWWSKKLYOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H19N3O3/c1-19(2,3)17(24)15-11-22-10-13(6-9-16(22)21-15)20-18(25)12-4-7-14(23)8-5-12;1-19(2,3)16(24)15-9-12-8-13(10-20-17(12)22-15)21-18(25)11-4-6-14(23)7-5-11;1-19(2,3)17(24)14-8-12-9-16(20-10-15(12)21-14)22-18(25)11-4-6-13(23)7-5-11/h4-11,23H,1-3H3,(H,20,25);4-10,23H,1-3H3,(H,20,22)(H,21,25);4-10,21,23H,1-3H3,(H,20,22,25).
What are the key properties of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide?
N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide has a molecular weight of 1012.14 g/mol, XLogP of 11.02, 9 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide is sourced from PubChem (CID 157327904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).