N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C18H13F3N6O2 — CID 59252068

IUPACN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cn3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3n2)no1
InChIInChI=1S/C18H13F3N6O2/c1-9-4-13(26-29-9)17(28)25-14-8-27-7-10(2-3-15(27)24-14)11-5-12(18(19,20)21)16(22)23-6-11/h2-8H,1H3,(H2,22,23)(H,25,28)
InChIKeyVOANYIRIAZNQOI-UHFFFAOYSA-N
MW402.34 g/mol
LogP3.55
Rot. Bonds3

About N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 59252068) has the molecular formula C18H13F3N6O2 and a molecular weight of 402.34 g/mol. Its IUPAC name is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID59252068
Molecular FormulaC18H13F3N6O2
Molecular Weight402.34 g/mol
Exact Mass402.11
IUPAC NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cn3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3n2)no1
InChIInChI=1S/C18H13F3N6O2/c1-9-4-13(26-29-9)17(28)25-14-8-27-7-10(2-3-15(27)24-14)11-5-12(18(19,20)21)16(22)23-6-11/h2-8H,1H3,(H2,22,23)(H,25,28)
InChIKeyVOANYIRIAZNQOI-UHFFFAOYSA-N
XLogP3.55
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 59252068) is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cn3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3n2)no1.
What is the InChIKey of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is VOANYIRIAZNQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6O2/c1-9-4-13(26-29-9)17(28)25-14-8-27-7-10(2-3-15(27)24-14)11-5-12(18(19,20)21)16(22)23-6-11/h2-8H,1H3,(H2,22,23)(H,25,28).
What are the key properties of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 402.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 59252068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).