N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)prop-2-ynamide

About N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)prop-2-ynamide

N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)prop-2-ynamide (PubChem CID 178075636) has the molecular formula C23H23F3N6O3 and a molecular weight of 488.47 g/mol. Its IUPAC name is N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)prop-2-ynamide.

Molecular Properties

Compound Name	N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)prop-2-ynamide
PubChem CID	178075636
Molecular Formula	C23H23F3N6O3
Molecular Weight	488.47 g/mol
Exact Mass	488.18
IUPAC Name	N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)prop-2-ynamide
SMILES	Cn1ccc(C#CC(=O)Nc2cc(-c3ncc(C(F)(F)F)[nH]3)ccc2OCCN2CCC(O)C2)n1
InChI	InChI=1S/C23H23F3N6O3/c1-31-8-6-16(30-31)3-5-21(34)28-18-12-15(22-27-13-20(29-22)23(24,25)26)2-4-19(18)35-11-10-32-9-7-17(33)14-32/h2,4,6,8,12-13,17,33H,7,9-11,14H2,1H3,(H,27,29)(H,28,34)
InChIKey	JGNNGZQGOFVXGJ-UHFFFAOYSA-N
XLogP	2.26
TPSA	108.30 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.47
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)prop-2-ynamide?

The IUPAC name of N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)prop-2-ynamide (CID 178075636) is N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)prop-2-ynamide.

What is the SMILES notation for N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)prop-2-ynamide?

The canonical SMILES for N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)prop-2-ynamide is Cn1ccc(C#CC(=O)Nc2cc(-c3ncc(C(F)(F)F)[nH]3)ccc2OCCN2CCC(O)C2)n1.

What is the InChIKey of N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)prop-2-ynamide?

The InChIKey is JGNNGZQGOFVXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O3/c1-31-8-6-16(30-31)3-5-21(34)28-18-12-15(22-27-13-20(29-22)23(24,25)26)2-4-19(18)35-11-10-32-9-7-17(33)14-32/h2,4,6,8,12-13,17,33H,7,9-11,14H2,1H3,(H,27,29)(H,28,34).

What are the key properties of N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)prop-2-ynamide?

N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)prop-2-ynamide has a molecular weight of 488.47 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)prop-2-ynamide is sourced from PubChem (CID 178075636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).