(1R)-2-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)

C21H17ClF6N6O4 — CID 117074732

IUPAC(1R)-2-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESN[C@H](Cc1ccc(Cl)cc1)c1nc2ncc(-c3cn[nH]c3)cc2[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H15ClN6.2C2HF3O2/c18-13-3-1-10(2-4-13)5-14(19)16-23-15-6-11(7-20-17(15)24-16)12-8-21-22-9-12;2*3-2(4,5)1(6)7/h1-4,6-9,14H,5,19H2,(H,21,22)(H,20,23,24);2*(H,6,7)/t14-;;/m1../s1
InChIKeyIFTRJJOZRCDEQC-FMOMHUKBSA-N
MW566.85 g/mol
LogP4.51
Rot. Bonds4

About (1R)-2-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)

(1R)-2-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 117074732) has the molecular formula C21H17ClF6N6O4 and a molecular weight of 566.85 g/mol. Its IUPAC name is (1R)-2-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name(1R)-2-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID117074732
Molecular FormulaC21H17ClF6N6O4
Molecular Weight566.85 g/mol
Exact Mass566.09
IUPAC Name(1R)-2-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESN[C@H](Cc1ccc(Cl)cc1)c1nc2ncc(-c3cn[nH]c3)cc2[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H15ClN6.2C2HF3O2/c18-13-3-1-10(2-4-13)5-14(19)16-23-15-6-11(7-20-17(15)24-16)12-8-21-22-9-12;2*3-2(4,5)1(6)7/h1-4,6-9,14H,5,19H2,(H,21,22)(H,20,23,24);2*(H,6,7)/t14-;;/m1../s1
InChIKeyIFTRJJOZRCDEQC-FMOMHUKBSA-N
XLogP4.51
TPSA170.87 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.85
LogP ≤ 54.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (1R)-2-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine
CID 44525868
4-[1-[(4-chlorophenyl)methyl]-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 168070193
6-N-[(4-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168280107
3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine
CID 44525866
4-[4-[5-(4-chlorophenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413903
2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 122197993
2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 122197995
2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-fluorophenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 122198039
2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-fluorophenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 122198043
2-(5-tert-butyl-4-chloro-2-methyl-2H-pyrazol-3-yl)-6-(2-trifluoromethyl-phenyl)-1H-imidazo[4,5-b]pyrazine
CID 136073177
2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine
CID 136403217
N-[(1S)-1-(4-chlorophenyl)propyl]-1-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide
CID 118696862

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of (1R)-2-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine;bis(2,2,2-trifluoroacetic acid) (CID 117074732) is (1R)-2-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for (1R)-2-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for (1R)-2-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine;bis(2,2,2-trifluoroacetic acid) is N[C@H](Cc1ccc(Cl)cc1)c1nc2ncc(-c3cn[nH]c3)cc2[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of (1R)-2-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is IFTRJJOZRCDEQC-FMOMHUKBSA-N. The full InChI is InChI=1S/C17H15ClN6.2C2HF3O2/c18-13-3-1-10(2-4-13)5-14(19)16-23-15-6-11(7-20-17(15)24-16)12-8-21-22-9-12;2*3-2(4,5)1(6)7/h1-4,6-9,14H,5,19H2,(H,21,22)(H,20,23,24);2*(H,6,7)/t14-;;/m1../s1.
What are the key properties of (1R)-2-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)?
(1R)-2-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 566.85 g/mol, XLogP of 4.51, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 117074732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).