4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine

C21H15ClN6 — CID 169237590

IUPAC4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine
SMILESCn1ccnc1-c1nc(Cl)c2c(-c3ccccc3)c(-c3cccnc3)cn2n1
InChIInChI=1S/C21H15ClN6/c1-27-11-10-24-21(27)20-25-19(22)18-17(14-6-3-2-4-7-14)16(13-28(18)26-20)15-8-5-9-23-12-15/h2-13H,1H3
InChIKeyAUYIGIRZBLNOMZ-UHFFFAOYSA-N
MW386.85 g/mol
LogP4.51
Rot. Bonds3

About 4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine

4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 169237590) has the molecular formula C21H15ClN6 and a molecular weight of 386.85 g/mol. Its IUPAC name is 4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID169237590
Molecular FormulaC21H15ClN6
Molecular Weight386.85 g/mol
Exact Mass386.10
IUPAC Name4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine
SMILESCn1ccnc1-c1nc(Cl)c2c(-c3ccccc3)c(-c3cccnc3)cn2n1
InChIInChI=1S/C21H15ClN6/c1-27-11-10-24-21(27)20-25-19(22)18-17(14-6-3-2-4-7-14)16(13-28(18)26-20)15-8-5-9-23-12-15/h2-13H,1H3
InChIKeyAUYIGIRZBLNOMZ-UHFFFAOYSA-N
XLogP4.51
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 169237778
N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 169238024
5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 176718574
6-(2-chloro-3-methoxyphenyl)-N-cyclobutyl-2-(1-methylimidazol-2-yl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 169237432
4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane
CID 169238010
3-[2-(1-methylimidazol-2-yl)-3-propan-2-ylphenyl]pyridine
CID 143415543
5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine
CID 59252470
ethane;1-methyl-2-phenylimidazole
CID 142155183
5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride
CID 176718570
4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine
CID 104845792
(Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide
CID 169238060
3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine (CID 169237590) is 4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine is Cn1ccnc1-c1nc(Cl)c2c(-c3ccccc3)c(-c3cccnc3)cn2n1.
What is the InChIKey of 4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is AUYIGIRZBLNOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN6/c1-27-11-10-24-21(27)20-25-19(22)18-17(14-6-3-2-4-7-14)16(13-28(18)26-20)15-8-5-9-23-12-15/h2-13H,1H3.
What are the key properties of 4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine?
4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 386.85 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 169237590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).