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

C54H66N18O9 — CID 157260602

IUPACN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide
SMILESCOCCn1cc(C(=O)Nc2cc3cc(C(=O)C(C)(C)C)[nH]c3cn2)nn1.COCCn1cc(C(=O)Nc2ccc3nc(C(=O)C(C)(C)C)cn3c2)nn1.COCCn1cc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)nn1
InChIInChI=1S/3C18H22N6O3/c1-18(2,3)16(25)12-7-11-8-15(19-9-13(11)20-12)21-17(26)14-10-24(23-22-14)5-6-27-4;1-18(2,3)15(25)13-8-11-7-12(9-19-16(11)21-13)20-17(26)14-10-24(23-22-14)5-6-27-4;1-18(2,3)16(25)13-10-23-9-12(5-6-15(23)20-13)19-17(26)14-11-24(22-21-14)7-8-27-4/h7-10,20H,5-6H2,1-4H3,(H,19,21,26);7-10H,5-6H2,1-4H3,(H,19,21)(H,20,26);5-6,9-11H,7-8H2,1-4H3,(H,19,26)
InChIKeyAXKHIETXFXWEAZ-UHFFFAOYSA-N
MW1111.24 g/mol
LogP6.62
Rot. Bonds18

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

N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide (PubChem CID 157260602) has the molecular formula C54H66N18O9 and a molecular weight of 1111.24 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide
PubChem CID157260602
Molecular FormulaC54H66N18O9
Molecular Weight1111.24 g/mol
Exact Mass1110.53
IUPAC NameN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide
SMILESCOCCn1cc(C(=O)Nc2cc3cc(C(=O)C(C)(C)C)[nH]c3cn2)nn1.COCCn1cc(C(=O)Nc2ccc3nc(C(=O)C(C)(C)C)cn3c2)nn1.COCCn1cc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)nn1
InChIInChI=1S/3C18H22N6O3/c1-18(2,3)16(25)12-7-11-8-15(19-9-13(11)20-12)21-17(26)14-10-24(23-22-14)5-6-27-4;1-18(2,3)15(25)13-8-11-7-12(9-19-16(11)21-13)20-17(26)14-10-24(23-22-14)5-6-27-4;1-18(2,3)16(25)13-10-23-9-12(5-6-15(23)20-13)19-17(26)14-11-24(22-21-14)7-8-27-4/h7-10,20H,5-6H2,1-4H3,(H,19,21,26);7-10H,5-6H2,1-4H3,(H,19,21)(H,20,26);5-6,9-11H,7-8H2,1-4H3,(H,19,26)
InChIKeyAXKHIETXFXWEAZ-UHFFFAOYSA-N
XLogP6.62
TPSA332.99 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001111.24
LogP ≤ 56.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

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

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Related Compounds

N-butyl-N-ethyl-1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide;N,1-dimethyl-N-propyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide;N-(2-methoxyethyl)-N,1-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide;1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide;molecular hydrogen
CID 161542121
N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione
CID 162182978
N-(2,2-difluoroethyl)-6-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]carbamoyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 168211881
N-[5-[[2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]acetyl]amino]-2-fluoro-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634538
N-[5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-2-fluoro-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634599
N-[2-fluoro-5-[[2-[(3R)-3-methoxypyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634646
N-[2-fluoro-5-[[2-[(3S)-3-methoxypyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634654
N-[2-fluoro-5-[[2-[(3R)-3-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634688
N-[2-fluoro-5-[[2-[(2S)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634690
N-[5-[[2-(2,2-dimethylmorpholin-4-yl)acetyl]amino]-2-fluoro-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634902
N-[2-fluoro-5-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634910
N-[5-[[2-[(2S)-2-ethylmorpholin-4-yl]acetyl]amino]-2-fluoro-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170635150

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide (CID 157260602) is N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide is COCCn1cc(C(=O)Nc2cc3cc(C(=O)C(C)(C)C)[nH]c3cn2)nn1.COCCn1cc(C(=O)Nc2ccc3nc(C(=O)C(C)(C)C)cn3c2)nn1.COCCn1cc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)nn1.
What is the InChIKey of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide?
The InChIKey is AXKHIETXFXWEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H22N6O3/c1-18(2,3)16(25)12-7-11-8-15(19-9-13(11)20-12)21-17(26)14-10-24(23-22-14)5-6-27-4;1-18(2,3)15(25)13-8-11-7-12(9-19-16(11)21-13)20-17(26)14-10-24(23-22-14)5-6-27-4;1-18(2,3)16(25)13-10-23-9-12(5-6-15(23)20-13)19-17(26)14-11-24(22-21-14)7-8-27-4/h7-10,20H,5-6H2,1-4H3,(H,19,21,26);7-10H,5-6H2,1-4H3,(H,19,21)(H,20,26);5-6,9-11H,7-8H2,1-4H3,(H,19,26).
What are the key properties of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide?
N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide has a molecular weight of 1111.24 g/mol, XLogP of 6.62, 18 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide is sourced from PubChem (CID 157260602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).