N-(5-cyclopropyl-1,2-dihydropyrazin-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C22H25F3N6O2 — CID 171785275

IUPACN-(5-cyclopropyl-1,2-dihydropyrazin-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESC=CC(=O)N1CCC=C(c2cn(C(C)C(=O)NC3=NC(C4CC4)=CNC3)nc2C(F)(F)F)C1
InChIInChI=1S/C22H25F3N6O2/c1-3-19(32)30-8-4-5-15(11-30)16-12-31(29-20(16)22(23,24)25)13(2)21(33)28-18-10-26-9-17(27-18)14-6-7-14/h3,5,9,12-14,26H,1,4,6-8,10-11H2,2H3,(H,27,28,33)
InChIKeyQNRZOQIYIMPDDD-UHFFFAOYSA-N
MW462.48 g/mol
LogP2.63
Rot. Bonds5

About N-(5-cyclopropyl-1,2-dihydropyrazin-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(5-cyclopropyl-1,2-dihydropyrazin-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 171785275) has the molecular formula C22H25F3N6O2 and a molecular weight of 462.48 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,2-dihydropyrazin-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,2-dihydropyrazin-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID171785275
Molecular FormulaC22H25F3N6O2
Molecular Weight462.48 g/mol
Exact Mass462.20
IUPAC NameN-(5-cyclopropyl-1,2-dihydropyrazin-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESC=CC(=O)N1CCC=C(c2cn(C(C)C(=O)NC3=NC(C4CC4)=CNC3)nc2C(F)(F)F)C1
InChIInChI=1S/C22H25F3N6O2/c1-3-19(32)30-8-4-5-15(11-30)16-12-31(29-20(16)22(23,24)25)13(2)21(33)28-18-10-26-9-17(27-18)14-6-7-14/h3,5,9,12-14,26H,1,4,6-8,10-11H2,2H3,(H,27,28,33)
InChIKeyQNRZOQIYIMPDDD-UHFFFAOYSA-N
XLogP2.63
TPSA91.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,2-dihydropyrazin-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1,2-dihydropyrazin-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 171785275) is N-(5-cyclopropyl-1,2-dihydropyrazin-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,2-dihydropyrazin-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1,2-dihydropyrazin-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanamide is C=CC(=O)N1CCC=C(c2cn(C(C)C(=O)NC3=NC(C4CC4)=CNC3)nc2C(F)(F)F)C1.
What is the InChIKey of N-(5-cyclopropyl-1,2-dihydropyrazin-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is QNRZOQIYIMPDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O2/c1-3-19(32)30-8-4-5-15(11-30)16-12-31(29-20(16)22(23,24)25)13(2)21(33)28-18-10-26-9-17(27-18)14-6-7-14/h3,5,9,12-14,26H,1,4,6-8,10-11H2,2H3,(H,27,28,33).
What are the key properties of N-(5-cyclopropyl-1,2-dihydropyrazin-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(5-cyclopropyl-1,2-dihydropyrazin-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 462.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,2-dihydropyrazin-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 171785275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).