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

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

N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-pyridin-3-ylprop-2-ynamide (PubChem CID 178075684) has the molecular formula C24H22F3N5O3 and a molecular weight of 485.47 g/mol. Its IUPAC name is N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-pyridin-3-ylprop-2-ynamide.

Molecular Properties

Compound Name	N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-pyridin-3-ylprop-2-ynamide
PubChem CID	178075684
Molecular Formula	C24H22F3N5O3
Molecular Weight	485.47 g/mol
Exact Mass	485.17
IUPAC Name	N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-pyridin-3-ylprop-2-ynamide
SMILES	O=C(C#Cc1cccnc1)Nc1cc(-c2ncc(C(F)(F)F)[nH]2)ccc1OCCN1CCC(O)C1
InChI	InChI=1S/C24H22F3N5O3/c25-24(26,27)21-14-29-23(31-21)17-4-5-20(35-11-10-32-9-7-18(33)15-32)19(12-17)30-22(34)6-3-16-2-1-8-28-13-16/h1-2,4-5,8,12-14,18,33H,7,9-11,15H2,(H,29,31)(H,30,34)
InChIKey	RTNRHBZNHIXMST-UHFFFAOYSA-N
XLogP	2.93
TPSA	103.37 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.47
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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-pyridin-3-ylprop-2-ynamide?

The IUPAC name of N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-pyridin-3-ylprop-2-ynamide (CID 178075684) is N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-pyridin-3-ylprop-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-pyridin-3-ylprop-2-ynamide?

The canonical SMILES for N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-pyridin-3-ylprop-2-ynamide is O=C(C#Cc1cccnc1)Nc1cc(-c2ncc(C(F)(F)F)[nH]2)ccc1OCCN1CCC(O)C1.

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

The InChIKey is RTNRHBZNHIXMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3/c25-24(26,27)21-14-29-23(31-21)17-4-5-20(35-11-10-32-9-7-18(33)15-32)19(12-17)30-22(34)6-3-16-2-1-8-28-13-16/h1-2,4-5,8,12-14,18,33H,7,9-11,15H2,(H,29,31)(H,30,34).

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

N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-pyridin-3-ylprop-2-ynamide has a molecular weight of 485.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 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-pyridin-3-ylprop-2-ynamide is sourced from PubChem (CID 178075684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).