4-[6-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylaniline

C18H14ClN5 — CID 144630511

IUPAC4-[6-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylaniline
SMILESCNc1ccc(-c2cnc3cnc(-c4ccc(Cl)nc4)cn23)cc1
InChIInChI=1S/C18H14ClN5/c1-20-14-5-2-12(3-6-14)16-9-23-18-10-21-15(11-24(16)18)13-4-7-17(19)22-8-13/h2-11,20H,1H3
InChIKeyDKEWBAXNIAPFPI-UHFFFAOYSA-N
MW335.80 g/mol
LogP4.15
Rot. Bonds3

About 4-[6-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylaniline

4-[6-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylaniline (PubChem CID 144630511) has the molecular formula C18H14ClN5 and a molecular weight of 335.80 g/mol. Its IUPAC name is 4-[6-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[6-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylaniline
PubChem CID144630511
Molecular FormulaC18H14ClN5
Molecular Weight335.80 g/mol
Exact Mass335.09
IUPAC Name4-[6-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylaniline
SMILESCNc1ccc(-c2cnc3cnc(-c4ccc(Cl)nc4)cn23)cc1
InChIInChI=1S/C18H14ClN5/c1-20-14-5-2-12(3-6-14)16-9-23-18-10-21-15(11-24(16)18)13-4-7-17(19)22-8-13/h2-11,20H,1H3
InChIKeyDKEWBAXNIAPFPI-UHFFFAOYSA-N
XLogP4.15
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde
CID 144630474
N-(6-chloro-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 74767851
4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 137001359
N-[3-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide
CID 155548764
3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 90157437
4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile
CID 155568839
6-chloro-3-pyridin-3-ylimidazo[1,2-a]pyrazine
CID 130311776
N-[1-[4-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide
CID 134504993
N-(6-chloro-3-pyridinyl)-N-methyl-3-(1-methylindazol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157332
methyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate
CID 136961324
3-(4-fluorophenyl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine
CID 162644685
6-(4-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
CID 144630432

Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylaniline?
The IUPAC name of 4-[6-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylaniline (CID 144630511) is 4-[6-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylaniline.
What is the SMILES notation for 4-[6-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylaniline?
The canonical SMILES for 4-[6-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylaniline is CNc1ccc(-c2cnc3cnc(-c4ccc(Cl)nc4)cn23)cc1.
What is the InChIKey of 4-[6-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylaniline?
The InChIKey is DKEWBAXNIAPFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5/c1-20-14-5-2-12(3-6-14)16-9-23-18-10-21-15(11-24(16)18)13-4-7-17(19)22-8-13/h2-11,20H,1H3.
What are the key properties of 4-[6-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylaniline?
4-[6-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylaniline has a molecular weight of 335.80 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylaniline is sourced from PubChem (CID 144630511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).