N-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine

C14H16ClN5O — CID 63070945

IUPACN-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(-n2cc(Cl)cn2)nc2ccccn12
InChIInChI=1S/C14H16ClN5O/c1-21-7-5-16-9-12-14(20-10-11(15)8-17-20)18-13-4-2-3-6-19(12)13/h2-4,6,8,10,16H,5,7,9H2,1H3
InChIKeyMRSZJQCCCRIWDI-UHFFFAOYSA-N
MW305.77 g/mol
LogP1.91
Rot. Bonds6

About N-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine

N-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine (PubChem CID 63070945) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is N-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine
PubChem CID63070945
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC NameN-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(-n2cc(Cl)cn2)nc2ccccn12
InChIInChI=1S/C14H16ClN5O/c1-21-7-5-16-9-12-14(20-10-11(15)8-17-20)18-13-4-2-3-6-19(12)13/h2-4,6,8,10,16H,5,7,9H2,1H3
InChIKeyMRSZJQCCCRIWDI-UHFFFAOYSA-N
XLogP1.91
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine
CID 54909540
2-methoxy-N-[(2-thiomorpholin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 63059993
N-[(2-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 43478543
N-[[5-(4-chloropyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 80624071
2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 63805231
3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylpropane-1,2-diol
CID 79671023
3-(2-methoxyethoxy)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 43770876
3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol
CID 66136871
N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 115591883
N-methyl-1-(2-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 43478544
N-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine
CID 63010016
[2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 54909886

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine (CID 63070945) is N-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine is COCCNCc1c(-n2cc(Cl)cn2)nc2ccccn12.
What is the InChIKey of N-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is MRSZJQCCCRIWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-21-7-5-16-9-12-14(20-10-11(15)8-17-20)18-13-4-2-3-6-19(12)13/h2-4,6,8,10,16H,5,7,9H2,1H3.
What are the key properties of N-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine?
N-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 305.77 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63070945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).