2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-cyanoimidazo[1,2-a]pyridin-2-yl]acetamide

C47H35BrF9N17O4 — CID 158084782

IUPAC2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-cyanoimidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cn2c1Br.CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cn2c1C#N.CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cn2c1C(N)=O
InChIInChI=1S/C16H13F3N6O2.C16H11F3N6O.C15H11BrF3N5O/c1-7(26)23-15-12(14(21)27)25-6-8(2-3-11(25)24-15)9-4-10(16(17,18)19)13(20)22-5-9;1-8(26)23-15-12(5-20)25-7-9(2-3-13(25)24-15)10-4-11(16(17,18)19)14(21)22-6-10;1-7(25)22-14-12(16)24-6-8(2-3-11(24)23-14)9-4-10(15(17,18)19)13(20)21-5-9/h2-6H,1H3,(H2,20,22)(H2,21,27)(H,23,26);2-4,6-7H,1H3,(H2,21,22)(H,23,26);2-6H,1H3,(H2,20,21)(H,22,25)
InChIKeyFNJMRZWMRKTLBN-UHFFFAOYSA-N
MW1152.80 g/mol
LogP8.60
Rot. Bonds7

About 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-cyanoimidazo[1,2-a]pyridin-2-yl]acetamide

2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-cyanoimidazo[1,2-a]pyridin-2-yl]acetamide (PubChem CID 158084782) has the molecular formula C47H35BrF9N17O4 and a molecular weight of 1152.80 g/mol. Its IUPAC name is 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-cyanoimidazo[1,2-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-cyanoimidazo[1,2-a]pyridin-2-yl]acetamide
PubChem CID158084782
Molecular FormulaC47H35BrF9N17O4
Molecular Weight1152.80 g/mol
Exact Mass1151.21
IUPAC Name2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-cyanoimidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cn2c1Br.CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cn2c1C#N.CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cn2c1C(N)=O
InChIInChI=1S/C16H13F3N6O2.C16H11F3N6O.C15H11BrF3N5O/c1-7(26)23-15-12(14(21)27)25-6-8(2-3-11(25)24-15)9-4-10(16(17,18)19)13(20)22-5-9;1-8(26)23-15-12(5-20)25-7-9(2-3-13(25)24-15)10-4-11(16(17,18)19)14(21)22-6-10;1-7(25)22-14-12(16)24-6-8(2-3-11(24)23-14)9-4-10(15(17,18)19)13(20)21-5-9/h2-6H,1H3,(H2,20,22)(H2,21,27)(H,23,26);2-4,6-7H,1H3,(H2,21,22)(H,23,26);2-6H,1H3,(H2,20,21)(H,22,25)
InChIKeyFNJMRZWMRKTLBN-UHFFFAOYSA-N
XLogP8.60
TPSA322.81 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001152.80
LogP ≤ 58.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Analyze 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-cyanoimidazo[1,2-a]pyridin-2-yl]acetamide with MolForge

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Related Compounds

Imidazo[1,2-a]pyridin-3-yl-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098988
US9981944, Example 68
CID 122478560
US9981944, Example 69
CID 122478608
3-Ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-[5-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]purine-2,6-dione
CID 134205583
US9981944, Example 95
CID 122478384
2-Acetamido-6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 59251860
6-[2-[[2-(4,4-Difluoropiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 59312982
(2S)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]propanamide
CID 118960975
2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxopurin-7-yl]-N-[6-[5-methyl-6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]acetamide
CID 118960998
2-[3,8-dimethyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]-N-[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-yl]acetamide
CID 118961045
(2S)-2-[3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]propanamide
CID 118961075
(2S)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)pyridin-3-yl]pyrazin-2-yl]propanamide
CID 118961159

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-cyanoimidazo[1,2-a]pyridin-2-yl]acetamide?
The IUPAC name of 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-cyanoimidazo[1,2-a]pyridin-2-yl]acetamide (CID 158084782) is 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-cyanoimidazo[1,2-a]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-cyanoimidazo[1,2-a]pyridin-2-yl]acetamide?
The canonical SMILES for 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-cyanoimidazo[1,2-a]pyridin-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cn2c1Br.CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cn2c1C#N.CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cn2c1C(N)=O.
What is the InChIKey of 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-cyanoimidazo[1,2-a]pyridin-2-yl]acetamide?
The InChIKey is FNJMRZWMRKTLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O2.C16H11F3N6O.C15H11BrF3N5O/c1-7(26)23-15-12(14(21)27)25-6-8(2-3-11(25)24-15)9-4-10(16(17,18)19)13(20)22-5-9;1-8(26)23-15-12(5-20)25-7-9(2-3-13(25)24-15)10-4-11(16(17,18)19)14(21)22-6-10;1-7(25)22-14-12(16)24-6-8(2-3-11(24)23-14)9-4-10(15(17,18)19)13(20)21-5-9/h2-6H,1H3,(H2,20,22)(H2,21,27)(H,23,26);2-4,6-7H,1H3,(H2,21,22)(H,23,26);2-6H,1H3,(H2,20,21)(H,22,25).
What are the key properties of 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-cyanoimidazo[1,2-a]pyridin-2-yl]acetamide?
2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-cyanoimidazo[1,2-a]pyridin-2-yl]acetamide has a molecular weight of 1152.80 g/mol, XLogP of 8.60, 7 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-cyanoimidazo[1,2-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 158084782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).