N-[2-hydroxy-3-(tetrazol-2-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

About N-[2-hydroxy-3-(tetrazol-2-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

N-[2-hydroxy-3-(tetrazol-2-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 69065283) has the molecular formula C21H20F3N7O4 and a molecular weight of 491.43 g/mol. Its IUPAC name is N-[2-hydroxy-3-(tetrazol-2-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name	N-[2-hydroxy-3-(tetrazol-2-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
PubChem CID	69065283
Molecular Formula	C21H20F3N7O4
Molecular Weight	491.43 g/mol
Exact Mass	491.15
IUPAC Name	N-[2-hydroxy-3-(tetrazol-2-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
SMILES	Cc1[nH]c(C=C2C(=O)Nc3ccc(OC(F)(F)F)cc32)c(C)c1C(=O)NCC(O)Cn1ncnn1
InChI	InChI=1S/C21H20F3N7O4/c1-10-17(6-15-14-5-13(35-21(22,23)24)3-4-16(14)29-19(15)33)28-11(2)18(10)20(34)25-7-12(32)8-31-27-9-26-30-31/h3-6,9,12,28,32H,7-8H2,1-2H3,(H,25,34)(H,29,33)
InChIKey	UTJUYYYXUBPUPE-UHFFFAOYSA-N
XLogP	1.80
TPSA	147.05 Å²
H-Bond Donors	4
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.43
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(tetrazol-2-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

The IUPAC name of N-[2-hydroxy-3-(tetrazol-2-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (CID 69065283) is N-[2-hydroxy-3-(tetrazol-2-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.

What is the SMILES notation for N-[2-hydroxy-3-(tetrazol-2-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-[2-hydroxy-3-(tetrazol-2-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is Cc1[nH]c(C=C2C(=O)Nc3ccc(OC(F)(F)F)cc32)c(C)c1C(=O)NCC(O)Cn1ncnn1.

What is the InChIKey of N-[2-hydroxy-3-(tetrazol-2-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

The InChIKey is UTJUYYYXUBPUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O4/c1-10-17(6-15-14-5-13(35-21(22,23)24)3-4-16(14)29-19(15)33)28-11(2)18(10)20(34)25-7-12(32)8-31-27-9-26-30-31/h3-6,9,12,28,32H,7-8H2,1-2H3,(H,25,34)(H,29,33).

What are the key properties of N-[2-hydroxy-3-(tetrazol-2-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

N-[2-hydroxy-3-(tetrazol-2-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 491.43 g/mol, XLogP of 1.80, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-hydroxy-3-(tetrazol-2-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 69065283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).