5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

C22H28F3N5O2 — CID 162616449

IUPAC5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3CCC(N4CCOCC4)C3)n(CC3CC3)n2)cc1OC(F)(F)F
InChIInChI=1S/C22H28F3N5O2/c23-22(24,25)32-20-10-16(12-27-21(20)26)18-11-19(30(28-18)13-14-1-2-14)15-3-4-17(9-15)29-5-7-31-8-6-29/h10-12,14-15,17H,1-9,13H2,(H2,26,27)
InChIKeyOMOCUBSWCHTJNT-UHFFFAOYSA-N
MW451.49 g/mol
LogP3.80
Rot. Bonds6

About 5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 162616449) has the molecular formula C22H28F3N5O2 and a molecular weight of 451.49 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID162616449
Molecular FormulaC22H28F3N5O2
Molecular Weight451.49 g/mol
Exact Mass451.22
IUPAC Name5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3CCC(N4CCOCC4)C3)n(CC3CC3)n2)cc1OC(F)(F)F
InChIInChI=1S/C22H28F3N5O2/c23-22(24,25)32-20-10-16(12-27-21(20)26)18-11-19(30(28-18)13-14-1-2-14)15-3-4-17(9-15)29-5-7-31-8-6-29/h10-12,14-15,17H,1-9,13H2,(H2,26,27)
InChIKeyOMOCUBSWCHTJNT-UHFFFAOYSA-N
XLogP3.80
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 162616449) is 5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is Nc1ncc(-c2cc(C3CCC(N4CCOCC4)C3)n(CC3CC3)n2)cc1OC(F)(F)F.
What is the InChIKey of 5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is OMOCUBSWCHTJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N5O2/c23-22(24,25)32-20-10-16(12-27-21(20)26)18-11-19(30(28-18)13-14-1-2-14)15-3-4-17(9-15)29-5-7-31-8-6-29/h10-12,14-15,17H,1-9,13H2,(H2,26,27).
What are the key properties of 5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 451.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 162616449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).