1-(2-methoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea

C27H25N7O2 — CID 46879350

IUPAC1-(2-methoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1
InChIInChI=1S/C27H25N7O2/c1-18-6-7-24(36-2)22(14-18)33-27(35)31-21-5-3-4-20(15-21)23-17-34-13-12-29-26(34)25(32-23)30-16-19-8-10-28-11-9-19/h3-15,17H,16H2,1-2H3,(H,30,32)(H2,31,33,35)
InChIKeyCTBAIXMGKDLRMD-UHFFFAOYSA-N
MW479.54 g/mol
LogP5.36
Rot. Bonds7

About 1-(2-methoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea

1-(2-methoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (PubChem CID 46879350) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
PubChem CID46879350
Molecular FormulaC27H25N7O2
Molecular Weight479.54 g/mol
Exact Mass479.21
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1
InChIInChI=1S/C27H25N7O2/c1-18-6-7-24(36-2)22(14-18)33-27(35)31-21-5-3-4-20(15-21)23-17-34-13-12-29-26(34)25(32-23)30-16-19-8-10-28-11-9-19/h3-15,17H,16H2,1-2H3,(H,30,32)(H2,31,33,35)
InChIKeyCTBAIXMGKDLRMD-UHFFFAOYSA-N
XLogP5.36
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N4-methyl-N2-{2-methyl-1-[2-({3-methyl-3H-imidazo[4,5-b]pyridin-6-yl}oxy)phenyl]-1H-indol-6-yl}pyrimidine-2,4-diamine
CID 121231410
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
Vuf5574
CID 4046493
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
Imidazopyridine-urea,42
CID 10117977
4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335801
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
4-[2-Methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336101
(4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]phenyl)imidazo[1,2-a]pyridine
CID 10479214

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (CID 46879350) is 1-(2-methoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is COc1ccc(C)cc1NC(=O)Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The InChIKey is CTBAIXMGKDLRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-18-6-7-24(36-2)22(14-18)33-27(35)31-21-5-3-4-20(15-21)23-17-34-13-12-29-26(34)25(32-23)30-16-19-8-10-28-11-9-19/h3-15,17H,16H2,1-2H3,(H,30,32)(H2,31,33,35).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
1-(2-methoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea has a molecular weight of 479.54 g/mol, XLogP of 5.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is sourced from PubChem (CID 46879350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).