4-[6-(6-propan-2-yloxyindazol-1-yl)pyrazin-2-yl]benzoic acid

C21H18N4O3 — CID 177379117

IUPAC4-[6-(6-propan-2-yloxyindazol-1-yl)pyrazin-2-yl]benzoic acid
SMILESCC(C)Oc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1
InChIInChI=1S/C21H18N4O3/c1-13(2)28-17-8-7-16-10-23-25(19(16)9-17)20-12-22-11-18(24-20)14-3-5-15(6-4-14)21(26)27/h3-13H,1-2H3,(H,26,27)
InChIKeyPMSMZWVAMDIAJN-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.97
Rot. Bonds5

About 4-[6-(6-propan-2-yloxyindazol-1-yl)pyrazin-2-yl]benzoic acid

4-[6-(6-propan-2-yloxyindazol-1-yl)pyrazin-2-yl]benzoic acid (PubChem CID 177379117) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-[6-(6-propan-2-yloxyindazol-1-yl)pyrazin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[6-(6-propan-2-yloxyindazol-1-yl)pyrazin-2-yl]benzoic acid
PubChem CID177379117
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name4-[6-(6-propan-2-yloxyindazol-1-yl)pyrazin-2-yl]benzoic acid
SMILESCC(C)Oc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1
InChIInChI=1S/C21H18N4O3/c1-13(2)28-17-8-7-16-10-23-25(19(16)9-17)20-12-22-11-18(24-20)14-3-5-15(6-4-14)21(26)27/h3-13H,1-2H3,(H,26,27)
InChIKeyPMSMZWVAMDIAJN-UHFFFAOYSA-N
XLogP3.97
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]benzoic acid
CID 163271924
2-methyl-4-[6-(1-methylindazol-6-yl)oxypyrazin-2-yl]benzamide
CID 171537205
2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid
CID 139519387
1-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 126754445
4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide
CID 6482931
6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole
CID 134179264
1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid
CID 159598250
4-[4-amino-5-carbamimidoyl-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]benzoic acid
CID 129083539
4-(4-propan-2-yloxybenzoyl)oxybenzoic acid
CID 54854478
4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid
CID 67256782
4-(4-methyl-6-propan-2-yloxyquinolin-2-yl)benzamide
CID 171385894
4-(5-ethoxy-2-pyridinyl)benzoic acid
CID 110282358

Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-propan-2-yloxyindazol-1-yl)pyrazin-2-yl]benzoic acid?
The IUPAC name of 4-[6-(6-propan-2-yloxyindazol-1-yl)pyrazin-2-yl]benzoic acid (CID 177379117) is 4-[6-(6-propan-2-yloxyindazol-1-yl)pyrazin-2-yl]benzoic acid.
What is the SMILES notation for 4-[6-(6-propan-2-yloxyindazol-1-yl)pyrazin-2-yl]benzoic acid?
The canonical SMILES for 4-[6-(6-propan-2-yloxyindazol-1-yl)pyrazin-2-yl]benzoic acid is CC(C)Oc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1.
What is the InChIKey of 4-[6-(6-propan-2-yloxyindazol-1-yl)pyrazin-2-yl]benzoic acid?
The InChIKey is PMSMZWVAMDIAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13(2)28-17-8-7-16-10-23-25(19(16)9-17)20-12-22-11-18(24-20)14-3-5-15(6-4-14)21(26)27/h3-13H,1-2H3,(H,26,27).
What are the key properties of 4-[6-(6-propan-2-yloxyindazol-1-yl)pyrazin-2-yl]benzoic acid?
4-[6-(6-propan-2-yloxyindazol-1-yl)pyrazin-2-yl]benzoic acid has a molecular weight of 374.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-propan-2-yloxyindazol-1-yl)pyrazin-2-yl]benzoic acid is sourced from PubChem (CID 177379117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).