N-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide

C26H23N7O3 — CID 171635265

IUPACN-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide
SMILESCc1c(Oc2ccnc(NC(=O)c3ccnn3C)c2)cccc1C(=O)NCc1ccc2nccn2c1
InChIInChI=1S/C26H23N7O3/c1-17-20(25(34)29-15-18-6-7-24-28-12-13-33(24)16-18)4-3-5-22(17)36-19-8-10-27-23(14-19)31-26(35)21-9-11-30-32(21)2/h3-14,16H,15H2,1-2H3,(H,29,34)(H,27,31,35)
InChIKeyZXQSRBXQYHWSOV-UHFFFAOYSA-N
MW481.52 g/mol
LogP3.75
Rot. Bonds7

About N-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide

N-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide (PubChem CID 171635265) has the molecular formula C26H23N7O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is N-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide
PubChem CID171635265
Molecular FormulaC26H23N7O3
Molecular Weight481.52 g/mol
Exact Mass481.19
IUPAC NameN-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide
SMILESCc1c(Oc2ccnc(NC(=O)c3ccnn3C)c2)cccc1C(=O)NCc1ccc2nccn2c1
InChIInChI=1S/C26H23N7O3/c1-17-20(25(34)29-15-18-6-7-24-28-12-13-33(24)16-18)4-3-5-22(17)36-19-8-10-27-23(14-19)31-26(35)21-9-11-30-32(21)2/h3-14,16H,15H2,1-2H3,(H,29,34)(H,27,31,35)
InChIKeyZXQSRBXQYHWSOV-UHFFFAOYSA-N
XLogP3.75
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethane;N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-[[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]amino]-4-pyridinyl]oxy]benzamide
CID 171635435
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide
CID 171635795
ethane;2-methyl-N-[4-[2-methyl-3-[1-[(6-methyl-3-pyridinyl)methylamino]ethenyl]phenoxy]-2-pyridinyl]pyrazole-3-carboxamide
CID 171635503
N-[4-[3-[(3,5-difluorophenyl)methylcarbamoyl]-2-methylphenoxy]-2-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 171635206
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]benzamide
CID 171635993
N-[(3-chlorophenyl)methyl]-2-methyl-3-[[2-[[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]amino]-4-pyridinyl]oxy]benzamide;ethane
CID 171635439
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide
CID 171635393
N-[(3,5-difluorophenyl)methyl]-3-[[2-[[(Z,2E)-2-ethylidenepent-3-enoyl]amino]-4-pyridinyl]oxy]-2-methylbenzamide;ethane
CID 171635153
N-[4-[3-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenoxy]-2-pyridinyl]-2-methyl-2H-pyrrole-5-carboxamide
CID 171634935
N-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide
CID 171635627
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(3-methylanilino)-4-pyridinyl]oxy]benzamide
CID 171635380
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide
CID 171635999

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide (CID 171635265) is N-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide is Cc1c(Oc2ccnc(NC(=O)c3ccnn3C)c2)cccc1C(=O)NCc1ccc2nccn2c1.
What is the InChIKey of N-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is ZXQSRBXQYHWSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O3/c1-17-20(25(34)29-15-18-6-7-24-28-12-13-33(24)16-18)4-3-5-22(17)36-19-8-10-27-23(14-19)31-26(35)21-9-11-30-32(21)2/h3-14,16H,15H2,1-2H3,(H,29,34)(H,27,31,35).
What are the key properties of N-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
N-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 481.52 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171635265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).