N-cyclopropyl-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide

C22H18N4O2 — CID 137001364

IUPACN-cyclopropyl-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)cc1
InChIInChI=1S/C22H18N4O2/c27-18-9-5-15(6-10-18)20-11-24-21-12-23-19(13-26(20)21)14-1-3-16(4-2-14)22(28)25-17-7-8-17/h1-6,9-13,17,27H,7-8H2,(H,25,28)
InChIKeyOOHLLISXKRUFOE-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.66
Rot. Bonds4

About N-cyclopropyl-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide

N-cyclopropyl-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide (PubChem CID 137001364) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-cyclopropyl-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
PubChem CID137001364
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-cyclopropyl-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)cc1
InChIInChI=1S/C22H18N4O2/c27-18-9-5-15(6-10-18)20-11-24-21-12-23-19(13-26(20)21)14-1-3-16(4-2-14)22(28)25-17-7-8-17/h1-6,9-13,17,27H,7-8H2,(H,25,28)
InChIKeyOOHLLISXKRUFOE-UHFFFAOYSA-N
XLogP3.66
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Coelenteramide
CID 448487
4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
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(S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propan-1-one
CID 44410515
N-[2-(dimethylamino)ethyl]-4-[3-(4-phenoxyphenyl)-6-imidazo[1,2-a]pyrazinyl]benzamide
CID 49786470
N-Cyclopropyl-4-(8-isobutylamino-6-phenyl-imidazo[1,2-a]pyrazin-3-yl)-benzamide
CID 50914875
N-Cyclopropyl-4-[8-[(phenylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379119
N-cyclopropyl-4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
CID 66554609
N-(2-hydroxyethyl)-4-[3-(4-phenoxyphenyl) imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 126672790
N-(2-hydroxyethyl)-3-[3-(3-hydroxyphenyl) imidazo[1,2-b]pyridazin-6-yl]benzamide
CID 126673155
4-[5-(4-hydroxyphenyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 136042299
N-[(E)-3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allyl]-4-(3H-imidazol-4-yl)-benzamide
CID 136058188
US9908886, Example 2
CID 136273088

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide (CID 137001364) is N-cyclopropyl-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)cc1.
What is the InChIKey of N-cyclopropyl-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The InChIKey is OOHLLISXKRUFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-18-9-5-15(6-10-18)20-11-24-21-12-23-19(13-26(20)21)14-1-3-16(4-2-14)22(28)25-17-7-8-17/h1-6,9-13,17,27H,7-8H2,(H,25,28).
What are the key properties of N-cyclopropyl-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
N-cyclopropyl-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide is sourced from PubChem (CID 137001364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).