4-chloro-7-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrrolo[2,3-d]pyrimidine

C20H15ClN6 — CID 130387074

IUPAC4-chloro-7-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrrolo[2,3-d]pyrimidine
SMILESC[C@@H](c1cc2nccn2nc1-c1ccccc1)n1ccc2c(Cl)ncnc21
InChIInChI=1S/C20H15ClN6/c1-13(26-9-7-15-19(21)23-12-24-20(15)26)16-11-17-22-8-10-27(17)25-18(16)14-5-3-2-4-6-14/h2-13H,1H3/t13-/m0/s1
InChIKeyUEYQGXLPAGODKL-ZDUSSCGKSA-N
MW374.84 g/mol
LogP4.40
Rot. Bonds3

About 4-chloro-7-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrrolo[2,3-d]pyrimidine

4-chloro-7-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrrolo[2,3-d]pyrimidine (PubChem CID 130387074) has the molecular formula C20H15ClN6 and a molecular weight of 374.84 g/mol. Its IUPAC name is 4-chloro-7-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrrolo[2,3-d]pyrimidine
PubChem CID130387074
Molecular FormulaC20H15ClN6
Molecular Weight374.84 g/mol
Exact Mass374.10
IUPAC Name4-chloro-7-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrrolo[2,3-d]pyrimidine
SMILESC[C@@H](c1cc2nccn2nc1-c1ccccc1)n1ccc2c(Cl)ncnc21
InChIInChI=1S/C20H15ClN6/c1-13(26-9-7-15-19(21)23-12-24-20(15)26)16-11-17-22-8-10-27(17)25-18(16)14-5-3-2-4-6-14/h2-13H,1H3/t13-/m0/s1
InChIKeyUEYQGXLPAGODKL-ZDUSSCGKSA-N
XLogP4.40
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrrolo[2,3-d]pyrimidine (CID 130387074) is 4-chloro-7-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrrolo[2,3-d]pyrimidine is C[C@@H](c1cc2nccn2nc1-c1ccccc1)n1ccc2c(Cl)ncnc21.
What is the InChIKey of 4-chloro-7-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrrolo[2,3-d]pyrimidine?
The InChIKey is UEYQGXLPAGODKL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H15ClN6/c1-13(26-9-7-15-19(21)23-12-24-20(15)26)16-11-17-22-8-10-27(17)25-18(16)14-5-3-2-4-6-14/h2-13H,1H3/t13-/m0/s1.
What are the key properties of 4-chloro-7-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrrolo[2,3-d]pyrimidine?
4-chloro-7-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 374.84 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 130387074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).