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

C25H20ClN7O — CID 11525669

IUPAC1-(3-chlorophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1
InChIInChI=1S/C25H20ClN7O/c26-19-4-2-6-21(14-19)31-25(34)30-20-5-1-3-18(13-20)22-16-33-12-11-28-24(33)23(32-22)29-15-17-7-9-27-10-8-17/h1-14,16H,15H2,(H,29,32)(H2,30,31,34)
InChIKeyPAYXSLMAIACIHH-UHFFFAOYSA-N
MW469.94 g/mol
LogP5.70
Rot. Bonds6

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

1-(3-chlorophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (PubChem CID 11525669) has the molecular formula C25H20ClN7O and a molecular weight of 469.94 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
PubChem CID11525669
Molecular FormulaC25H20ClN7O
Molecular Weight469.94 g/mol
Exact Mass469.14
IUPAC Name1-(3-chlorophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1
InChIInChI=1S/C25H20ClN7O/c26-19-4-2-6-21(14-19)31-25(34)30-20-5-1-3-18(13-20)22-16-33-12-11-28-24(33)23(32-22)29-15-17-7-9-27-10-8-17/h1-14,16H,15H2,(H,29,32)(H2,30,31,34)
InChIKeyPAYXSLMAIACIHH-UHFFFAOYSA-N
XLogP5.70
TPSA96.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.94
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (CID 11525669) is 1-(3-chlorophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The InChIKey is PAYXSLMAIACIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN7O/c26-19-4-2-6-21(14-19)31-25(34)30-20-5-1-3-18(13-20)22-16-33-12-11-28-24(33)23(32-22)29-15-17-7-9-27-10-8-17/h1-14,16H,15H2,(H,29,32)(H2,30,31,34).
What are the key properties of 1-(3-chlorophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
1-(3-chlorophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea has a molecular weight of 469.94 g/mol, XLogP of 5.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is sourced from PubChem (CID 11525669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).