N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide

C26H21N7O2 — CID 67154121

IUPACN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCc1noc(-c2c3ccccc3nn2CCn2ccnc2)n1)c1ccc2ccccc2c1
InChIInChI=1S/C26H21N7O2/c34-25(20-10-9-18-5-1-2-6-19(18)15-20)28-16-23-29-26(35-31-23)24-21-7-3-4-8-22(21)30-33(24)14-13-32-12-11-27-17-32/h1-12,15,17H,13-14,16H2,(H,28,34)
InChIKeyFVLORDCDXZPYEU-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.07
Rot. Bonds7

About N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide

N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide (PubChem CID 67154121) has the molecular formula C26H21N7O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide
PubChem CID67154121
Molecular FormulaC26H21N7O2
Molecular Weight463.50 g/mol
Exact Mass463.18
IUPAC NameN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCc1noc(-c2c3ccccc3nn2CCn2ccnc2)n1)c1ccc2ccccc2c1
InChIInChI=1S/C26H21N7O2/c34-25(20-10-9-18-5-1-2-6-19(18)15-20)28-16-23-29-26(35-31-23)24-21-7-3-4-8-22(21)30-33(24)14-13-32-12-11-27-17-32/h1-12,15,17H,13-14,16H2,(H,28,34)
InChIKeyFVLORDCDXZPYEU-UHFFFAOYSA-N
XLogP4.07
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide (CID 67154121) is N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide is O=C(NCc1noc(-c2c3ccccc3nn2CCn2ccnc2)n1)c1ccc2ccccc2c1.
What is the InChIKey of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide?
The InChIKey is FVLORDCDXZPYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O2/c34-25(20-10-9-18-5-1-2-6-19(18)15-20)28-16-23-29-26(35-31-23)24-21-7-3-4-8-22(21)30-33(24)14-13-32-12-11-27-17-32/h1-12,15,17H,13-14,16H2,(H,28,34).
What are the key properties of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide?
N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 67154121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).