N'-[(S)-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]-N,N-dimethylmethanimidamide

C22H19ClFN5O — CID 147245236

IUPACN'-[(S)-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=N[C@@H](O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C22H19ClFN5O/c1-28(2)13-27-22(30)19-11-26-20-8-6-15(12-29(19)20)16-4-3-9-25-21(16)14-5-7-18(24)17(23)10-14/h3-13,22,30H,1-2H3/t22-/m0/s1
InChIKeyCLOKHODEMGRCCQ-QFIPXVFZSA-N
MW423.88 g/mol
LogP4.44
Rot. Bonds5

About N'-[(S)-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]-N,N-dimethylmethanimidamide

N'-[(S)-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]-N,N-dimethylmethanimidamide (PubChem CID 147245236) has the molecular formula C22H19ClFN5O and a molecular weight of 423.88 g/mol. Its IUPAC name is N'-[(S)-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(S)-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]-N,N-dimethylmethanimidamide
PubChem CID147245236
Molecular FormulaC22H19ClFN5O
Molecular Weight423.88 g/mol
Exact Mass423.13
IUPAC NameN'-[(S)-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=N[C@@H](O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C22H19ClFN5O/c1-28(2)13-27-22(30)19-11-26-20-8-6-15(12-29(19)20)16-4-3-9-25-21(16)14-5-7-18(24)17(23)10-14/h3-13,22,30H,1-2H3/t22-/m0/s1
InChIKeyCLOKHODEMGRCCQ-QFIPXVFZSA-N
XLogP4.44
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E,1R)-1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-ol
CID 139495090
1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
CID 86715530
6-[2-(3-chloro-4-ethenylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine
CID 123593025
[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 90094224
[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]methanediol
CID 138474219
N-[3-[amino(hydroxy)methyl]phenyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 139495259
4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]morpholine
CID 90095751
[6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol
CID 134546599
7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 90096257
amino-[6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 134546506
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90094779
1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylmethanamine
CID 142726238

Frequently Asked Questions

What is the IUPAC name of N'-[(S)-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(S)-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]-N,N-dimethylmethanimidamide (CID 147245236) is N'-[(S)-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(S)-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(S)-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]-N,N-dimethylmethanimidamide is CN(C)C=N[C@@H](O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12.
What is the InChIKey of N'-[(S)-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]-N,N-dimethylmethanimidamide?
The InChIKey is CLOKHODEMGRCCQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H19ClFN5O/c1-28(2)13-27-22(30)19-11-26-20-8-6-15(12-29(19)20)16-4-3-9-25-21(16)14-5-7-18(24)17(23)10-14/h3-13,22,30H,1-2H3/t22-/m0/s1.
What are the key properties of N'-[(S)-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]-N,N-dimethylmethanimidamide?
N'-[(S)-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]-N,N-dimethylmethanimidamide has a molecular weight of 423.88 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(S)-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 147245236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).