2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid

C17H13ClN6O2 — CID 56665629

IUPAC2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)O)c(Cl)c2)n1
InChIInChI=1S/C17H13ClN6O2/c1-9-8-24-14(10-5-20-21-6-10)7-19-16(24)15(22-9)23-11-2-3-12(17(25)26)13(18)4-11/h2-8H,1H3,(H,20,21)(H,22,23)(H,25,26)
InChIKeyLAUOIISFYDWVAF-UHFFFAOYSA-N
MW368.78 g/mol
LogP3.52
Rot. Bonds4

About 2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid

2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid (PubChem CID 56665629) has the molecular formula C17H13ClN6O2 and a molecular weight of 368.78 g/mol. Its IUPAC name is 2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid
PubChem CID56665629
Molecular FormulaC17H13ClN6O2
Molecular Weight368.78 g/mol
Exact Mass368.08
IUPAC Name2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)O)c(Cl)c2)n1
InChIInChI=1S/C17H13ClN6O2/c1-9-8-24-14(10-5-20-21-6-10)7-19-16(24)15(22-9)23-11-2-3-12(17(25)26)13(18)4-11/h2-8H,1H3,(H,20,21)(H,22,23)(H,25,26)
InChIKeyLAUOIISFYDWVAF-UHFFFAOYSA-N
XLogP3.52
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid?
The IUPAC name of 2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid (CID 56665629) is 2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)O)c(Cl)c2)n1.
What is the InChIKey of 2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid?
The InChIKey is LAUOIISFYDWVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O2/c1-9-8-24-14(10-5-20-21-6-10)7-19-16(24)15(22-9)23-11-2-3-12(17(25)26)13(18)4-11/h2-8H,1H3,(H,20,21)(H,22,23)(H,25,26).
What are the key properties of 2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid?
2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid has a molecular weight of 368.78 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid is sourced from PubChem (CID 56665629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).