N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide

C19H13N7O2 — CID 22480089

IUPACN-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1)c1ccco1
InChIInChI=1S/C19H13N7O2/c27-19(16-5-2-8-28-16)20-13-4-1-3-11(9-13)17-14-10-12(18-23-25-26-24-18)6-7-15(14)21-22-17/h1-10H,(H,20,27)(H,21,22)(H,23,24,25,26)
InChIKeyCUPPSBXHFQGTCK-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.26
Rot. Bonds4

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

N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide (PubChem CID 22480089) has the molecular formula C19H13N7O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide
PubChem CID22480089
Molecular FormulaC19H13N7O2
Molecular Weight371.36 g/mol
Exact Mass371.11
IUPAC NameN-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1)c1ccco1
InChIInChI=1S/C19H13N7O2/c27-19(16-5-2-8-28-16)20-13-4-1-3-11(9-13)17-14-10-12(18-23-25-26-24-18)6-7-15(14)21-22-17/h1-10H,(H,20,27)(H,21,22)(H,23,24,25,26)
InChIKeyCUPPSBXHFQGTCK-UHFFFAOYSA-N
XLogP3.26
TPSA125.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide (CID 22480089) is N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1)c1ccco1.
What is the InChIKey of N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide?
The InChIKey is CUPPSBXHFQGTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N7O2/c27-19(16-5-2-8-28-16)20-13-4-1-3-11(9-13)17-14-10-12(18-23-25-26-24-18)6-7-15(14)21-22-17/h1-10H,(H,20,27)(H,21,22)(H,23,24,25,26).
What are the key properties of N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide?
N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 22480089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).