7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine

C18H17ClN6 — CID 173086806

IUPAC7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine
SMILESClc1ccccc1N1C=C(Nc2cc(C3CC3)[nH]n2)n2ccnc2C1
InChIInChI=1S/C18H17ClN6/c19-13-3-1-2-4-15(13)24-10-17-20-7-8-25(17)18(11-24)21-16-9-14(22-23-16)12-5-6-12/h1-4,7-9,11-12H,5-6,10H2,(H2,21,22,23)
InChIKeyVEMSCYSKBHVOBK-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.03
Rot. Bonds4

About 7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine

7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine (PubChem CID 173086806) has the molecular formula C18H17ClN6 and a molecular weight of 352.83 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine.

Molecular Properties

Compound Name7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine
PubChem CID173086806
Molecular FormulaC18H17ClN6
Molecular Weight352.83 g/mol
Exact Mass352.12
IUPAC Name7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine
SMILESClc1ccccc1N1C=C(Nc2cc(C3CC3)[nH]n2)n2ccnc2C1
InChIInChI=1S/C18H17ClN6/c19-13-3-1-2-4-15(13)24-10-17-20-7-8-25(17)18(11-24)21-16-9-14(22-23-16)12-5-6-12/h1-4,7-9,11-12H,5-6,10H2,(H2,21,22,23)
InChIKeyVEMSCYSKBHVOBK-UHFFFAOYSA-N
XLogP4.03
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine?
The IUPAC name of 7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine (CID 173086806) is 7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine.
What is the SMILES notation for 7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine?
The canonical SMILES for 7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine is Clc1ccccc1N1C=C(Nc2cc(C3CC3)[nH]n2)n2ccnc2C1.
What is the InChIKey of 7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine?
The InChIKey is VEMSCYSKBHVOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6/c19-13-3-1-2-4-15(13)24-10-17-20-7-8-25(17)18(11-24)21-16-9-14(22-23-16)12-5-6-12/h1-4,7-9,11-12H,5-6,10H2,(H2,21,22,23).
What are the key properties of 7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine?
7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine has a molecular weight of 352.83 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine is sourced from PubChem (CID 173086806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).