6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine

C18H13ClF3N5 — CID 157032271

IUPAC6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)Cn1ccc2cnc([C@H]3C[C@@H]3c3cc(Cl)nn4ccnc34)cc21
InChIInChI=1S/C18H13ClF3N5/c19-16-6-13(17-23-2-4-27(17)25-16)11-5-12(11)14-7-15-10(8-24-14)1-3-26(15)9-18(20,21)22/h1-4,6-8,11-12H,5,9H2/t11-,12-/m0/s1
InChIKeyIUEMFQPKEFYNCO-RYUDHWBXSA-N
MW391.78 g/mol
LogP4.57
Rot. Bonds3

About 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine

6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine (PubChem CID 157032271) has the molecular formula C18H13ClF3N5 and a molecular weight of 391.78 g/mol. Its IUPAC name is 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
PubChem CID157032271
Molecular FormulaC18H13ClF3N5
Molecular Weight391.78 g/mol
Exact Mass391.08
IUPAC Name6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)Cn1ccc2cnc([C@H]3C[C@@H]3c3cc(Cl)nn4ccnc34)cc21
InChIInChI=1S/C18H13ClF3N5/c19-16-6-13(17-23-2-4-27(17)25-16)11-5-12(11)14-7-15-10(8-24-14)1-3-26(15)9-18(20,21)22/h1-4,6-8,11-12H,5,9H2/t11-,12-/m0/s1
InChIKeyIUEMFQPKEFYNCO-RYUDHWBXSA-N
XLogP4.57
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.78
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine (CID 157032271) is 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine is FC(F)(F)Cn1ccc2cnc([C@H]3C[C@@H]3c3cc(Cl)nn4ccnc34)cc21.
What is the InChIKey of 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
The InChIKey is IUEMFQPKEFYNCO-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H13ClF3N5/c19-16-6-13(17-23-2-4-27(17)25-16)11-5-12(11)14-7-15-10(8-24-14)1-3-26(15)9-18(20,21)22/h1-4,6-8,11-12H,5,9H2/t11-,12-/m0/s1.
What are the key properties of 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine has a molecular weight of 391.78 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157032271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).