4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline

C26H24BrFN4 — CID 67285582

IUPAC4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline
SMILESCC(C)c1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(Br)cc21
InChIInChI=1S/C26H24BrFN4/c1-15(2)22-23(19-7-5-6-10-29-19)31-20-12-17(28)8-9-18(20)24(22)32-14-26(3,4)25-21(32)11-16(27)13-30-25/h5-13,15H,14H2,1-4H3
InChIKeyURMZKRAJUCRELX-UHFFFAOYSA-N
MW491.41 g/mol
LogP7.15
Rot. Bonds3

About 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline

4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline (PubChem CID 67285582) has the molecular formula C26H24BrFN4 and a molecular weight of 491.41 g/mol. Its IUPAC name is 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline.

Molecular Properties

Compound Name4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline
PubChem CID67285582
Molecular FormulaC26H24BrFN4
Molecular Weight491.41 g/mol
Exact Mass490.12
IUPAC Name4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline
SMILESCC(C)c1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(Br)cc21
InChIInChI=1S/C26H24BrFN4/c1-15(2)22-23(19-7-5-6-10-29-19)31-20-12-17(28)8-9-18(20)24(22)32-14-26(3,4)25-21(32)11-16(27)13-30-25/h5-13,15H,14H2,1-4H3
InChIKeyURMZKRAJUCRELX-UHFFFAOYSA-N
XLogP7.15
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.41
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline?
The IUPAC name of 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline (CID 67285582) is 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline.
What is the SMILES notation for 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline?
The canonical SMILES for 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline is CC(C)c1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(Br)cc21.
What is the InChIKey of 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline?
The InChIKey is URMZKRAJUCRELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrFN4/c1-15(2)22-23(19-7-5-6-10-29-19)31-20-12-17(28)8-9-18(20)24(22)32-14-26(3,4)25-21(32)11-16(27)13-30-25/h5-13,15H,14H2,1-4H3.
What are the key properties of 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline?
4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline has a molecular weight of 491.41 g/mol, XLogP of 7.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinoline is sourced from PubChem (CID 67285582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).