2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid

C19H15N3O4 — CID 146018170

IUPAC2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid
SMILESCOc1ccccc1C(=O)n1ncc2c1c1ccccc1n2CC(=O)O
InChIInChI=1S/C19H15N3O4/c1-26-16-9-5-3-7-13(16)19(25)22-18-12-6-2-4-8-14(12)21(11-17(23)24)15(18)10-20-22/h2-10H,11H2,1H3,(H,23,24)
InChIKeyNATYILTYYFMPKC-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.77
Rot. Bonds4

About 2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid

2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid (PubChem CID 146018170) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid
PubChem CID146018170
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid
SMILESCOc1ccccc1C(=O)n1ncc2c1c1ccccc1n2CC(=O)O
InChIInChI=1S/C19H15N3O4/c1-26-16-9-5-3-7-13(16)19(25)22-18-12-6-2-4-8-14(12)21(11-17(23)24)15(18)10-20-22/h2-10H,11H2,1H3,(H,23,24)
InChIKeyNATYILTYYFMPKC-UHFFFAOYSA-N
XLogP2.77
TPSA86.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxy-2-methylindol-1-yl)acetic acid
CID 18735254
2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone
CID 141242796
2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid
CID 20989602
2-indazol-1-yl-1-(2-methoxyphenyl)ethanone
CID 62140573
N-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide
CID 177035215
1-(2-methoxybenzoyl)indole-3-carboxamide
CID 91690536
methyl 2-carbazol-9-ylacetate
CID 3745219
2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683022
2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid
CID 138658423
indol-1-yl-(2-methoxyphenyl)methanone
CID 39846486
[4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate
CID 16605535
2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid
CID 58948597

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid (CID 146018170) is 2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid is COc1ccccc1C(=O)n1ncc2c1c1ccccc1n2CC(=O)O.
What is the InChIKey of 2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid?
The InChIKey is NATYILTYYFMPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-26-16-9-5-3-7-13(16)19(25)22-18-12-6-2-4-8-14(12)21(11-17(23)24)15(18)10-20-22/h2-10H,11H2,1H3,(H,23,24).
What are the key properties of 2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid?
2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid has a molecular weight of 349.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid is sourced from PubChem (CID 146018170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).