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

C26H22ClN7O2 — CID 11584176

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1
InChIInChI=1S/C26H22ClN7O2/c1-36-23-6-5-19(27)14-21(23)33-26(35)31-20-4-2-3-18(13-20)22-16-34-12-11-29-25(34)24(32-22)30-15-17-7-9-28-10-8-17/h2-14,16H,15H2,1H3,(H,30,32)(H2,31,33,35)
InChIKeyDSECPOHHURXXAV-UHFFFAOYSA-N
MW499.96 g/mol
LogP5.71
Rot. Bonds7

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

1-(5-chloro-2-methoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (PubChem CID 11584176) has the molecular formula C26H22ClN7O2 and a molecular weight of 499.96 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
PubChem CID11584176
Molecular FormulaC26H22ClN7O2
Molecular Weight499.96 g/mol
Exact Mass499.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1
InChIInChI=1S/C26H22ClN7O2/c1-36-23-6-5-19(27)14-21(23)33-26(35)31-20-4-2-3-18(13-20)22-16-34-12-11-29-25(34)24(32-22)30-15-17-7-9-28-10-8-17/h2-14,16H,15H2,1H3,(H,30,32)(H2,31,33,35)
InChIKeyDSECPOHHURXXAV-UHFFFAOYSA-N
XLogP5.71
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.96
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Cambritaxestat
CID 122199235
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6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
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1-(2,4-Dimethoxy-5-(trifluoromethyl)phenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11606531
2-(4-chlorophenyl)-1-(4-methoxybenzyl)-1H-imidazo[1,2-a]pyridin-4-ium bromide
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (CID 11584176) is 1-(5-chloro-2-methoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is COc1ccc(Cl)cc1NC(=O)Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The InChIKey is DSECPOHHURXXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN7O2/c1-36-23-6-5-19(27)14-21(23)33-26(35)31-20-4-2-3-18(13-20)22-16-34-12-11-29-25(34)24(32-22)30-15-17-7-9-28-10-8-17/h2-14,16H,15H2,1H3,(H,30,32)(H2,31,33,35).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea has a molecular weight of 499.96 g/mol, XLogP of 5.71, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is sourced from PubChem (CID 11584176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).