N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide

C25H22N6O2 — CID 171635795

IUPACN-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide
SMILESCc1c(Oc2ccnc(NC3=CCN=C3)c2)cccc1C(=O)NCc1ccc2nccn2c1
InChIInChI=1S/C25H22N6O2/c1-17-21(25(32)29-14-18-5-6-24-28-11-12-31(24)16-18)3-2-4-22(17)33-20-8-10-27-23(13-20)30-19-7-9-26-15-19/h2-8,10-13,15-16H,9,14H2,1H3,(H,27,30)(H,29,32)
InChIKeyUEGYKHYKEGSGFQ-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.14
Rot. Bonds7

About N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide

N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide (PubChem CID 171635795) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide
PubChem CID171635795
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC NameN-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide
SMILESCc1c(Oc2ccnc(NC3=CCN=C3)c2)cccc1C(=O)NCc1ccc2nccn2c1
InChIInChI=1S/C25H22N6O2/c1-17-21(25(32)29-14-18-5-6-24-28-11-12-31(24)16-18)3-2-4-22(17)33-20-8-10-27-23(13-20)30-19-7-9-26-15-19/h2-8,10-13,15-16H,9,14H2,1H3,(H,27,30)(H,29,32)
InChIKeyUEGYKHYKEGSGFQ-UHFFFAOYSA-N
XLogP4.14
TPSA92.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide
CID 171635265
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-[(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]-2-methyl-3-[[2-(3-methylanilino)-4-pyridinyl]oxy]benzamide
CID 171635380
N-[4-[3-[(3,5-difluorophenyl)methylcarbamoyl]-2-methylphenoxy]-2-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 171635206
ethane;N-[4-[3-[1-[(4-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2H-pyrrole-4-carboxamide;molecular hydrogen
CID 171635959
3-[[2-[(2-ethyl-2H-pyrrol-4-yl)amino]-4-pyridinyl]oxy]-N-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-methylbenzamide
CID 171635491
N-(indolizin-7-ylmethyl)-2-methyl-3-[[2-[(2-methyl-1,5-dihydropyrazol-5-yl)amino]-4-pyridinyl]oxy]benzamide
CID 171635627
ethane;N-[(4-fluorophenyl)methyl]-2-methyl-3-[[2-[1-(2H-pyrrol-5-yl)ethenylamino]-4-pyridinyl]oxy]benzamide
CID 171635221
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide
CID 171635999
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-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]benzamide
CID 171635993

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide?
The IUPAC name of N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide (CID 171635795) is N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide is Cc1c(Oc2ccnc(NC3=CCN=C3)c2)cccc1C(=O)NCc1ccc2nccn2c1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide?
The InChIKey is UEGYKHYKEGSGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-17-21(25(32)29-14-18-5-6-24-28-11-12-31(24)16-18)3-2-4-22(17)33-20-8-10-27-23(13-20)30-19-7-9-26-15-19/h2-8,10-13,15-16H,9,14H2,1H3,(H,27,30)(H,29,32).
What are the key properties of N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide?
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide has a molecular weight of 438.49 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide is sourced from PubChem (CID 171635795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).