4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide

C23H21N5O2 — CID 67973616

IUPAC4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCc4ccccc4)nccn23)cc1O
InChIInChI=1S/C23H21N5O2/c29-20-12-16(6-9-18(20)23(30)27-17-7-8-17)19-14-26-22-21(24-10-11-28(19)22)25-13-15-4-2-1-3-5-15/h1-6,9-12,14,17,29H,7-8,13H2,(H,24,25)(H,27,30)
InChIKeyQIDMVEWFSKEBKM-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.61
Rot. Bonds6

About 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide

4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide (PubChem CID 67973616) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide.

Molecular Properties

Compound Name4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide
PubChem CID67973616
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCc4ccccc4)nccn23)cc1O
InChIInChI=1S/C23H21N5O2/c29-20-12-16(6-9-18(20)23(30)27-17-7-8-17)19-14-26-22-21(24-10-11-28(19)22)25-13-15-4-2-1-3-5-15/h1-6,9-12,14,17,29H,7-8,13H2,(H,24,25)(H,27,30)
InChIKeyQIDMVEWFSKEBKM-UHFFFAOYSA-N
XLogP3.61
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379859
N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381220
2-chloro-N-cyclopropyl-4-[8-(2-hydroxyethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 123742329
N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57382091
N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 67975867
2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57380549
N-cyclopropyl-4-[8-(propylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 118732116
N-cyclopropyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381444
2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 158236123
2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 143766243
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 57380552
2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67975735

Frequently Asked Questions

What is the IUPAC name of 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide?
The IUPAC name of 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide (CID 67973616) is 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide.
What is the SMILES notation for 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide?
The canonical SMILES for 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCc4ccccc4)nccn23)cc1O.
What is the InChIKey of 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide?
The InChIKey is QIDMVEWFSKEBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-20-12-16(6-9-18(20)23(30)27-17-7-8-17)19-14-26-22-21(24-10-11-28(19)22)25-13-15-4-2-1-3-5-15/h1-6,9-12,14,17,29H,7-8,13H2,(H,24,25)(H,27,30).
What are the key properties of 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide?
4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide has a molecular weight of 399.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide is sourced from PubChem (CID 67973616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).