N-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide

C20H22N7O+ — CID 173086620

IUPACN-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide
SMILESCc1cc(NC2=CN(c3cccc(C(=O)NC4CC4)c3)CC3=NC=C[NH+]23)n[nH]1
InChIInChI=1S/C20H21N7O/c1-13-9-17(25-24-13)23-19-12-26(11-18-21-7-8-27(18)19)16-4-2-3-14(10-16)20(28)22-15-5-6-15/h2-4,7-10,12,15H,5-6,11H2,1H3,(H,22,28)(H2,23,24,25)/p+1
InChIKeyHEHBVWIVHXWLQP-UHFFFAOYSA-O
MW376.44 g/mol
LogP1.11
Rot. Bonds5

About N-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide

N-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide (PubChem CID 173086620) has the molecular formula C20H22N7O+ and a molecular weight of 376.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide
PubChem CID173086620
Molecular FormulaC20H22N7O+
Molecular Weight376.44 g/mol
Exact Mass376.19
IUPAC NameN-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide
SMILESCc1cc(NC2=CN(c3cccc(C(=O)NC4CC4)c3)CC3=NC=C[NH+]23)n[nH]1
InChIInChI=1S/C20H21N7O/c1-13-9-17(25-24-13)23-19-12-26(11-18-21-7-8-27(18)19)16-4-2-3-14(10-16)20(28)22-15-5-6-15/h2-4,7-10,12,15H,5-6,11H2,1H3,(H,22,28)(H2,23,24,25)/p+1
InChIKeyHEHBVWIVHXWLQP-UHFFFAOYSA-O
XLogP1.11
TPSA89.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide (CID 173086620) is N-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide is Cc1cc(NC2=CN(c3cccc(C(=O)NC4CC4)c3)CC3=NC=C[NH+]23)n[nH]1.
What is the InChIKey of N-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide?
The InChIKey is HEHBVWIVHXWLQP-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21N7O/c1-13-9-17(25-24-13)23-19-12-26(11-18-21-7-8-27(18)19)16-4-2-3-14(10-16)20(28)22-15-5-6-15/h2-4,7-10,12,15H,5-6,11H2,1H3,(H,22,28)(H2,23,24,25)/p+1.
What are the key properties of N-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide?
N-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide has a molecular weight of 376.44 g/mol, XLogP of 1.11, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide is sourced from PubChem (CID 173086620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).