N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C22H25N5O2 — CID 50914591

IUPACN-cyclopropyl-4-[8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCOCC4)nccn23)cc1
InChIInChI=1S/C22H25N5O2/c28-22(26-18-5-6-18)17-3-1-16(2-4-17)19-14-25-21-20(23-9-10-27(19)21)24-13-15-7-11-29-12-8-15/h1-4,9-10,14-15,18H,5-8,11-13H2,(H,23,24)(H,26,28)
InChIKeyUIDRJOAJUDGRLX-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.13
Rot. Bonds6

About N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 50914591) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID50914591
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-cyclopropyl-4-[8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCOCC4)nccn23)cc1
InChIInChI=1S/C22H25N5O2/c28-22(26-18-5-6-18)17-3-1-16(2-4-17)19-14-25-21-20(23-9-10-27(19)21)24-13-15-7-11-29-12-8-15/h1-4,9-10,14-15,18H,5-8,11-13H2,(H,23,24)(H,26,28)
InChIKeyUIDRJOAJUDGRLX-UHFFFAOYSA-N
XLogP3.13
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 50914591) is N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCOCC4)nccn23)cc1.
What is the InChIKey of N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is UIDRJOAJUDGRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-22(26-18-5-6-18)17-3-1-16(2-4-17)19-14-25-21-20(23-9-10-27(19)21)24-13-15-7-11-29-12-8-15/h1-4,9-10,14-15,18H,5-8,11-13H2,(H,23,24)(H,26,28).
What are the key properties of N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 391.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 50914591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).