ethane;4-formamido-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide;4-(4-methyl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C24H27F3N8O3 — CID 163400384

IUPACethane;4-formamido-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide;4-(4-methyl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCC.Cc1ccc(-n2cc(NC=O)c(C(N)=O)n2)cn1.Cc1coc(-c2ccnc(NCC(F)(F)F)c2)n1
InChIInChI=1S/C11H10F3N3O.C11H11N5O2.C2H6/c1-7-5-18-10(17-7)8-2-3-15-9(4-8)16-6-11(12,13)14;1-7-2-3-8(4-13-7)16-5-9(14-6-17)10(15-16)11(12)18;1-2/h2-5H,6H2,1H3,(H,15,16);2-6H,1H3,(H2,12,18)(H,14,17);1-2H3
InChIKeyHAXUDYIVJMNIAI-UHFFFAOYSA-N
MW532.53 g/mol
LogP4.29
Rot. Bonds7

About ethane;4-formamido-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide;4-(4-methyl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

ethane;4-formamido-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide;4-(4-methyl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 163400384) has the molecular formula C24H27F3N8O3 and a molecular weight of 532.53 g/mol. Its IUPAC name is ethane;4-formamido-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide;4-(4-methyl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Nameethane;4-formamido-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide;4-(4-methyl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID163400384
Molecular FormulaC24H27F3N8O3
Molecular Weight532.53 g/mol
Exact Mass532.22
IUPAC Nameethane;4-formamido-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide;4-(4-methyl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCC.Cc1ccc(-n2cc(NC=O)c(C(N)=O)n2)cn1.Cc1coc(-c2ccnc(NCC(F)(F)F)c2)n1
InChIInChI=1S/C11H10F3N3O.C11H11N5O2.C2H6/c1-7-5-18-10(17-7)8-2-3-15-9(4-8)16-6-11(12,13)14;1-7-2-3-8(4-13-7)16-5-9(14-6-17)10(15-16)11(12)18;1-2/h2-5H,6H2,1H3,(H,15,16);2-6H,1H3,(H2,12,18)(H,14,17);1-2H3
InChIKeyHAXUDYIVJMNIAI-UHFFFAOYSA-N
XLogP4.29
TPSA153.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.53
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-formamido-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide;4-(4-methyl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of ethane;4-formamido-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide;4-(4-methyl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 163400384) is ethane;4-formamido-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide;4-(4-methyl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for ethane;4-formamido-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide;4-(4-methyl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for ethane;4-formamido-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide;4-(4-methyl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CC.Cc1ccc(-n2cc(NC=O)c(C(N)=O)n2)cn1.Cc1coc(-c2ccnc(NCC(F)(F)F)c2)n1.
What is the InChIKey of ethane;4-formamido-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide;4-(4-methyl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is HAXUDYIVJMNIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O.C11H11N5O2.C2H6/c1-7-5-18-10(17-7)8-2-3-15-9(4-8)16-6-11(12,13)14;1-7-2-3-8(4-13-7)16-5-9(14-6-17)10(15-16)11(12)18;1-2/h2-5H,6H2,1H3,(H,15,16);2-6H,1H3,(H2,12,18)(H,14,17);1-2H3.
What are the key properties of ethane;4-formamido-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide;4-(4-methyl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
ethane;4-formamido-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide;4-(4-methyl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 532.53 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-formamido-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide;4-(4-methyl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 163400384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).