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

C20H21N5O — CID 50914874

IUPACN-cyclopropyl-4-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CC4)nccn23)cc1
InChIInChI=1S/C20H21N5O/c26-20(24-16-7-8-16)15-5-3-14(4-6-15)17-12-23-19-18(21-9-10-25(17)19)22-11-13-1-2-13/h3-6,9-10,12-13,16H,1-2,7-8,11H2,(H,21,22)(H,24,26)
InChIKeyONZLCCRTRSKCDO-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.11
Rot. Bonds6

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

N-cyclopropyl-4-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 50914874) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID50914874
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-cyclopropyl-4-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CC4)nccn23)cc1
InChIInChI=1S/C20H21N5O/c26-20(24-16-7-8-16)15-5-3-14(4-6-15)17-12-23-19-18(21-9-10-25(17)19)22-11-13-1-2-13/h3-6,9-10,12-13,16H,1-2,7-8,11H2,(H,21,22)(H,24,26)
InChIKeyONZLCCRTRSKCDO-UHFFFAOYSA-N
XLogP3.11
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 50914874) is N-cyclopropyl-4-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CC4)nccn23)cc1.
What is the InChIKey of N-cyclopropyl-4-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is ONZLCCRTRSKCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(24-16-7-8-16)15-5-3-14(4-6-15)17-12-23-19-18(21-9-10-25(17)19)22-11-13-1-2-13/h3-6,9-10,12-13,16H,1-2,7-8,11H2,(H,21,22)(H,24,26).
What are the key properties of N-cyclopropyl-4-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 50914874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).