1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea

C33H29ClN8O2 — CID 10100197

IUPAC1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)Nc1cccc(-c2cn3ccnc3c(-n3ccnc3-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C33H29ClN8O2/c34-26-8-6-24(7-9-26)30-35-13-15-42(30)32-31-36-12-14-41(31)22-29(39-32)25-2-1-3-28(20-25)38-33(43)37-27-10-4-23(5-11-27)21-40-16-18-44-19-17-40/h1-15,20,22H,16-19,21H2,(H2,37,38,43)
InChIKeyDOUBMQHIWJGGLT-UHFFFAOYSA-N
MW605.10 g/mol
LogP6.38
Rot. Bonds7

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

1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea (PubChem CID 10100197) has the molecular formula C33H29ClN8O2 and a molecular weight of 605.10 g/mol. Its IUPAC name is 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea
PubChem CID10100197
Molecular FormulaC33H29ClN8O2
Molecular Weight605.10 g/mol
Exact Mass604.21
IUPAC Name1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)Nc1cccc(-c2cn3ccnc3c(-n3ccnc3-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C33H29ClN8O2/c34-26-8-6-24(7-9-26)30-35-13-15-42(30)32-31-36-12-14-41(31)22-29(39-32)25-2-1-3-28(20-25)38-33(43)37-27-10-4-23(5-11-27)21-40-16-18-44-19-17-40/h1-15,20,22H,16-19,21H2,(H2,37,38,43)
InChIKeyDOUBMQHIWJGGLT-UHFFFAOYSA-N
XLogP6.38
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.10
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea (CID 10100197) is 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea is O=C(Nc1ccc(CN2CCOCC2)cc1)Nc1cccc(-c2cn3ccnc3c(-n3ccnc3-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The InChIKey is DOUBMQHIWJGGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29ClN8O2/c34-26-8-6-24(7-9-26)30-35-13-15-42(30)32-31-36-12-14-41(31)22-29(39-32)25-2-1-3-28(20-25)38-33(43)37-27-10-4-23(5-11-27)21-40-16-18-44-19-17-40/h1-15,20,22H,16-19,21H2,(H2,37,38,43).
What are the key properties of 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea has a molecular weight of 605.10 g/mol, XLogP of 6.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 10100197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).