N-[5,6-bis[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide

C21H15F6N7O — CID 59251956

IUPACN-[5,6-bis[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1cn2c(-c3cnc(N)c(C(F)(F)F)c3)c(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C21H15F6N7O/c1-9(35)32-15-8-34-16(33-15)3-2-12(10-4-13(20(22,23)24)18(28)30-6-10)17(34)11-5-14(21(25,26)27)19(29)31-7-11/h2-8H,1H3,(H2,28,30)(H2,29,31)(H,32,35)
InChIKeyCRIRMEVBPKJHJS-UHFFFAOYSA-N
MW495.39 g/mol
LogP4.62
Rot. Bonds3

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

N-[5,6-bis[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide (PubChem CID 59251956) has the molecular formula C21H15F6N7O and a molecular weight of 495.39 g/mol. Its IUPAC name is N-[5,6-bis[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5,6-bis[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
PubChem CID59251956
Molecular FormulaC21H15F6N7O
Molecular Weight495.39 g/mol
Exact Mass495.12
IUPAC NameN-[5,6-bis[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1cn2c(-c3cnc(N)c(C(F)(F)F)c3)c(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C21H15F6N7O/c1-9(35)32-15-8-34-16(33-15)3-2-12(10-4-13(20(22,23)24)18(28)30-6-10)17(34)11-5-14(21(25,26)27)19(29)31-7-11/h2-8H,1H3,(H2,28,30)(H2,29,31)(H,32,35)
InChIKeyCRIRMEVBPKJHJS-UHFFFAOYSA-N
XLogP4.62
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.39
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5,6-bis[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide?
The IUPAC name of N-[5,6-bis[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide (CID 59251956) is N-[5,6-bis[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[5,6-bis[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide?
The canonical SMILES for N-[5,6-bis[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide is CC(=O)Nc1cn2c(-c3cnc(N)c(C(F)(F)F)c3)c(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1.
What is the InChIKey of N-[5,6-bis[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide?
The InChIKey is CRIRMEVBPKJHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F6N7O/c1-9(35)32-15-8-34-16(33-15)3-2-12(10-4-13(20(22,23)24)18(28)30-6-10)17(34)11-5-14(21(25,26)27)19(29)31-7-11/h2-8H,1H3,(H2,28,30)(H2,29,31)(H,32,35).
What are the key properties of N-[5,6-bis[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide?
N-[5,6-bis[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide has a molecular weight of 495.39 g/mol, XLogP of 4.62, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-bis[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 59251956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).