4-[[6-[(2-cyclopentylacetyl)amino]indazol-1-yl]methyl]-3-methoxybenzoic acid

C23H25N3O4 — CID 14708752

IUPAC4-[[6-[(2-cyclopentylacetyl)amino]indazol-1-yl]methyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cn1ncc2ccc(NC(=O)CC3CCCC3)cc21
InChIInChI=1S/C23H25N3O4/c1-30-21-11-16(23(28)29)6-7-18(21)14-26-20-12-19(9-8-17(20)13-24-26)25-22(27)10-15-4-2-3-5-15/h6-9,11-13,15H,2-5,10,14H2,1H3,(H,25,27)(H,28,29)
InChIKeyJMQWBUKHNFPDCT-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.31
Rot. Bonds7

About 4-[[6-[(2-cyclopentylacetyl)amino]indazol-1-yl]methyl]-3-methoxybenzoic acid

4-[[6-[(2-cyclopentylacetyl)amino]indazol-1-yl]methyl]-3-methoxybenzoic acid (PubChem CID 14708752) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-[[6-[(2-cyclopentylacetyl)amino]indazol-1-yl]methyl]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[6-[(2-cyclopentylacetyl)amino]indazol-1-yl]methyl]-3-methoxybenzoic acid
PubChem CID14708752
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name4-[[6-[(2-cyclopentylacetyl)amino]indazol-1-yl]methyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cn1ncc2ccc(NC(=O)CC3CCCC3)cc21
InChIInChI=1S/C23H25N3O4/c1-30-21-11-16(23(28)29)6-7-18(21)14-26-20-12-19(9-8-17(20)13-24-26)25-22(27)10-15-4-2-3-5-15/h6-9,11-13,15H,2-5,10,14H2,1H3,(H,25,27)(H,28,29)
InChIKeyJMQWBUKHNFPDCT-UHFFFAOYSA-N
XLogP4.31
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(2-cyclopentylacetyl)amino]indazol-1-yl]methyl]-3-methoxybenzoic acid?
The IUPAC name of 4-[[6-[(2-cyclopentylacetyl)amino]indazol-1-yl]methyl]-3-methoxybenzoic acid (CID 14708752) is 4-[[6-[(2-cyclopentylacetyl)amino]indazol-1-yl]methyl]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[[6-[(2-cyclopentylacetyl)amino]indazol-1-yl]methyl]-3-methoxybenzoic acid?
The canonical SMILES for 4-[[6-[(2-cyclopentylacetyl)amino]indazol-1-yl]methyl]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1Cn1ncc2ccc(NC(=O)CC3CCCC3)cc21.
What is the InChIKey of 4-[[6-[(2-cyclopentylacetyl)amino]indazol-1-yl]methyl]-3-methoxybenzoic acid?
The InChIKey is JMQWBUKHNFPDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-30-21-11-16(23(28)29)6-7-18(21)14-26-20-12-19(9-8-17(20)13-24-26)25-22(27)10-15-4-2-3-5-15/h6-9,11-13,15H,2-5,10,14H2,1H3,(H,25,27)(H,28,29).
What are the key properties of 4-[[6-[(2-cyclopentylacetyl)amino]indazol-1-yl]methyl]-3-methoxybenzoic acid?
4-[[6-[(2-cyclopentylacetyl)amino]indazol-1-yl]methyl]-3-methoxybenzoic acid has a molecular weight of 407.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(2-cyclopentylacetyl)amino]indazol-1-yl]methyl]-3-methoxybenzoic acid is sourced from PubChem (CID 14708752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).