4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoic acid

C22H23N3O5 — CID 14708751

IUPAC4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cn1ncc2ccc(NC(=O)OC3CCCC3)cc21
InChIInChI=1S/C22H23N3O5/c1-29-20-10-14(21(26)27)6-7-16(20)13-25-19-11-17(9-8-15(19)12-23-25)24-22(28)30-18-4-2-3-5-18/h6-12,18H,2-5,13H2,1H3,(H,24,28)(H,26,27)
InChIKeyCHEGZJBMMKHHBL-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.28
Rot. Bonds6

About 4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoic acid

4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoic acid (PubChem CID 14708751) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoic acid
PubChem CID14708751
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cn1ncc2ccc(NC(=O)OC3CCCC3)cc21
InChIInChI=1S/C22H23N3O5/c1-29-20-10-14(21(26)27)6-7-16(20)13-25-19-11-17(9-8-15(19)12-23-25)24-22(28)30-18-4-2-3-5-18/h6-12,18H,2-5,13H2,1H3,(H,24,28)(H,26,27)
InChIKeyCHEGZJBMMKHHBL-UHFFFAOYSA-N
XLogP4.28
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoic acid?
The IUPAC name of 4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoic acid (CID 14708751) is 4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoic acid?
The canonical SMILES for 4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1Cn1ncc2ccc(NC(=O)OC3CCCC3)cc21.
What is the InChIKey of 4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoic acid?
The InChIKey is CHEGZJBMMKHHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-29-20-10-14(21(26)27)6-7-16(20)13-25-19-11-17(9-8-15(19)12-23-25)24-22(28)30-18-4-2-3-5-18/h6-12,18H,2-5,13H2,1H3,(H,24,28)(H,26,27).
What are the key properties of 4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoic acid?
4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoic acid has a molecular weight of 409.44 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoic acid is sourced from PubChem (CID 14708751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).