N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-3-(tetrazol-1-yl)propanamide

C16H18F3N7O2 — CID 70721614

IUPACN-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-3-(tetrazol-1-yl)propanamide
SMILESCC(C)Oc1ccc2c(NC(=O)CCn3cnnn3)nn(CC(F)(F)F)c2c1
InChIInChI=1S/C16H18F3N7O2/c1-10(2)28-11-3-4-12-13(7-11)26(8-16(17,18)19)22-15(12)21-14(27)5-6-25-9-20-23-24-25/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,21,22,27)
InChIKeyVTXBLZXIQRPGSX-UHFFFAOYSA-N
MW397.36 g/mol
LogP2.40
Rot. Bonds7

About N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-3-(tetrazol-1-yl)propanamide

N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-3-(tetrazol-1-yl)propanamide (PubChem CID 70721614) has the molecular formula C16H18F3N7O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-3-(tetrazol-1-yl)propanamide
PubChem CID70721614
Molecular FormulaC16H18F3N7O2
Molecular Weight397.36 g/mol
Exact Mass397.15
IUPAC NameN-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-3-(tetrazol-1-yl)propanamide
SMILESCC(C)Oc1ccc2c(NC(=O)CCn3cnnn3)nn(CC(F)(F)F)c2c1
InChIInChI=1S/C16H18F3N7O2/c1-10(2)28-11-3-4-12-13(7-11)26(8-16(17,18)19)22-15(12)21-14(27)5-6-25-9-20-23-24-25/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,21,22,27)
InChIKeyVTXBLZXIQRPGSX-UHFFFAOYSA-N
XLogP2.40
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-3-(tetrazol-1-yl)propanamide (CID 70721614) is N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-3-(tetrazol-1-yl)propanamide is CC(C)Oc1ccc2c(NC(=O)CCn3cnnn3)nn(CC(F)(F)F)c2c1.
What is the InChIKey of N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is VTXBLZXIQRPGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N7O2/c1-10(2)28-11-3-4-12-13(7-11)26(8-16(17,18)19)22-15(12)21-14(27)5-6-25-9-20-23-24-25/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,21,22,27).
What are the key properties of N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-3-(tetrazol-1-yl)propanamide?
N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 397.36 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 70721614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).