1,2-dihydropyridine-5-carbaldehyde;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine

C19H16F3N7O — CID 143483787

IUPAC1,2-dihydropyridine-5-carbaldehyde;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESNc1ncc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1.O=CC1=CNCC=C1
InChIInChI=1S/C13H9F3N6.C6H7NO/c14-13(15,16)11-4-10(8-2-1-3-18-5-8)21-22(11)9-6-19-12(17)20-7-9;8-5-6-2-1-3-7-4-6/h1-7H,(H2,17,19,20);1-2,4-5,7H,3H2
InChIKeySDIAOBSQVXDSLC-UHFFFAOYSA-N
MW415.38 g/mol
LogP2.55
Rot. Bonds3

About 1,2-dihydropyridine-5-carbaldehyde;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine

1,2-dihydropyridine-5-carbaldehyde;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (PubChem CID 143483787) has the molecular formula C19H16F3N7O and a molecular weight of 415.38 g/mol. Its IUPAC name is 1,2-dihydropyridine-5-carbaldehyde;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name1,2-dihydropyridine-5-carbaldehyde;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
PubChem CID143483787
Molecular FormulaC19H16F3N7O
Molecular Weight415.38 g/mol
Exact Mass415.14
IUPAC Name1,2-dihydropyridine-5-carbaldehyde;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESNc1ncc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1.O=CC1=CNCC=C1
InChIInChI=1S/C13H9F3N6.C6H7NO/c14-13(15,16)11-4-10(8-2-1-3-18-5-8)21-22(11)9-6-19-12(17)20-7-9;8-5-6-2-1-3-7-4-6/h1-7H,(H2,17,19,20);1-2,4-5,7H,3H2
InChIKeySDIAOBSQVXDSLC-UHFFFAOYSA-N
XLogP2.55
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridine-5-carbaldehyde;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The IUPAC name of 1,2-dihydropyridine-5-carbaldehyde;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (CID 143483787) is 1,2-dihydropyridine-5-carbaldehyde;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 1,2-dihydropyridine-5-carbaldehyde;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The canonical SMILES for 1,2-dihydropyridine-5-carbaldehyde;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is Nc1ncc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1.O=CC1=CNCC=C1.
What is the InChIKey of 1,2-dihydropyridine-5-carbaldehyde;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The InChIKey is SDIAOBSQVXDSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N6.C6H7NO/c14-13(15,16)11-4-10(8-2-1-3-18-5-8)21-22(11)9-6-19-12(17)20-7-9;8-5-6-2-1-3-7-4-6/h1-7H,(H2,17,19,20);1-2,4-5,7H,3H2.
What are the key properties of 1,2-dihydropyridine-5-carbaldehyde;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
1,2-dihydropyridine-5-carbaldehyde;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine has a molecular weight of 415.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridine-5-carbaldehyde;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 143483787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).