2-phenoxy-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide

C23H19N7O2 — CID 20789026

IUPAC2-phenoxy-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1
InChIInChI=1S/C23H19N7O2/c1-14(32-18-8-3-2-4-9-18)23(31)24-17-7-5-6-15(12-17)21-19-13-16(22-27-29-30-28-22)10-11-20(19)25-26-21/h2-14H,1H3,(H,24,31)(H,25,26)(H,27,28,29,30)
InChIKeyLPXXVNOCVXNJGE-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.82
Rot. Bonds6

About 2-phenoxy-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide

2-phenoxy-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide (PubChem CID 20789026) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is 2-phenoxy-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
PubChem CID20789026
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC Name2-phenoxy-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1
InChIInChI=1S/C23H19N7O2/c1-14(32-18-8-3-2-4-9-18)23(31)24-17-7-5-6-15(12-17)21-19-13-16(22-27-29-30-28-22)10-11-20(19)25-26-21/h2-14H,1H3,(H,24,31)(H,25,26)(H,27,28,29,30)
InChIKeyLPXXVNOCVXNJGE-UHFFFAOYSA-N
XLogP3.82
TPSA121.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide?
The IUPAC name of 2-phenoxy-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide (CID 20789026) is 2-phenoxy-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide is CC(Oc1ccccc1)C(=O)Nc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1.
What is the InChIKey of 2-phenoxy-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide?
The InChIKey is LPXXVNOCVXNJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-14(32-18-8-3-2-4-9-18)23(31)24-17-7-5-6-15(12-17)21-19-13-16(22-27-29-30-28-22)10-11-20(19)25-26-21/h2-14H,1H3,(H,24,31)(H,25,26)(H,27,28,29,30).
What are the key properties of 2-phenoxy-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide?
2-phenoxy-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide has a molecular weight of 425.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 20789026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).