N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide

C28H29N5O2 — CID 118732118

IUPACN-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCOCC4)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C28H29N5O2/c34-28(31-23-10-11-23)22-8-6-21(7-9-22)25-17-30-27-26(29-16-19-12-14-35-15-13-19)32-24(18-33(25)27)20-4-2-1-3-5-20/h1-9,17-19,23H,10-16H2,(H,29,32)(H,31,34)
InChIKeyNEKRJWRVUAHIFG-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.79
Rot. Bonds7

About N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 118732118) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID118732118
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC NameN-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCOCC4)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C28H29N5O2/c34-28(31-23-10-11-23)22-8-6-21(7-9-22)25-17-30-27-26(29-16-19-12-14-35-15-13-19)32-24(18-33(25)27)20-4-2-1-3-5-20/h1-9,17-19,23H,10-16H2,(H,29,32)(H,31,34)
InChIKeyNEKRJWRVUAHIFG-UHFFFAOYSA-N
XLogP4.79
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.79
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)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (CID 118732118) is N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCOCC4)nc(-c4ccccc4)cn23)cc1.
What is the InChIKey of N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is NEKRJWRVUAHIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c34-28(31-23-10-11-23)22-8-6-21(7-9-22)25-17-30-27-26(29-16-19-12-14-35-15-13-19)32-24(18-33(25)27)20-4-2-1-3-5-20/h1-9,17-19,23H,10-16H2,(H,29,32)(H,31,34).
What are the key properties of N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 467.57 g/mol, XLogP of 4.79, 7 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)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 118732118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).