N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide

C26H24F3N7O3 — CID 24780809

IUPACN-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC=CCN(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nc3c([nH]2)c(=O)n(C2CC2)c(=O)n3CCC)cn1
InChIInChI=1S/C26H24F3N7O3/c1-3-11-34(23(37)16-5-9-18(30-14-16)26(27,28)29)19-10-6-15(13-31-19)21-32-20-22(33-21)35(12-4-2)25(39)36(24(20)38)17-7-8-17/h3,5-6,9-10,13-14,17H,1,4,7-8,11-12H2,2H3,(H,32,33)
InChIKeyRPAOLHZWKWFWQK-UHFFFAOYSA-N
MW539.52 g/mol
LogP3.94
Rot. Bonds8

About N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 24780809) has the molecular formula C26H24F3N7O3 and a molecular weight of 539.52 g/mol. Its IUPAC name is N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID24780809
Molecular FormulaC26H24F3N7O3
Molecular Weight539.52 g/mol
Exact Mass539.19
IUPAC NameN-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC=CCN(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nc3c([nH]2)c(=O)n(C2CC2)c(=O)n3CCC)cn1
InChIInChI=1S/C26H24F3N7O3/c1-3-11-34(23(37)16-5-9-18(30-14-16)26(27,28)29)19-10-6-15(13-31-19)21-32-20-22(33-21)35(12-4-2)25(39)36(24(20)38)17-7-8-17/h3,5-6,9-10,13-14,17H,1,4,7-8,11-12H2,2H3,(H,32,33)
InChIKeyRPAOLHZWKWFWQK-UHFFFAOYSA-N
XLogP3.94
TPSA118.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide 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 N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 24780809) is N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide is C=CCN(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nc3c([nH]2)c(=O)n(C2CC2)c(=O)n3CCC)cn1.
What is the InChIKey of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is RPAOLHZWKWFWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O3/c1-3-11-34(23(37)16-5-9-18(30-14-16)26(27,28)29)19-10-6-15(13-31-19)21-32-20-22(33-21)35(12-4-2)25(39)36(24(20)38)17-7-8-17/h3,5-6,9-10,13-14,17H,1,4,7-8,11-12H2,2H3,(H,32,33).
What are the key properties of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 539.52 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 24780809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).