6-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methylquinolin-2-yl]-1H-pyridin-2-one

C28H28FN5O2 — CID 50938721

IUPAC6-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methylquinolin-2-yl]-1H-pyridin-2-one
SMILESCc1c(-c2cccc(=O)[nH]2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C28H28FN5O2/c1-17-25(21-5-4-6-24(35)31-21)32-22-13-18(29)7-8-20(22)26(17)34-16-28(2,3)27-23(34)14-19(15-30-27)33-9-11-36-12-10-33/h4-8,13-15H,9-12,16H2,1-3H3,(H,31,35)
InChIKeyQUHDKZCVXSMVCQ-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.70
Rot. Bonds3

About 6-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methylquinolin-2-yl]-1H-pyridin-2-one

6-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methylquinolin-2-yl]-1H-pyridin-2-one (PubChem CID 50938721) has the molecular formula C28H28FN5O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is 6-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methylquinolin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methylquinolin-2-yl]-1H-pyridin-2-one
PubChem CID50938721
Molecular FormulaC28H28FN5O2
Molecular Weight485.56 g/mol
Exact Mass485.22
IUPAC Name6-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methylquinolin-2-yl]-1H-pyridin-2-one
SMILESCc1c(-c2cccc(=O)[nH]2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C28H28FN5O2/c1-17-25(21-5-4-6-24(35)31-21)32-22-13-18(29)7-8-20(22)26(17)34-16-28(2,3)27-23(34)14-19(15-30-27)33-9-11-36-12-10-33/h4-8,13-15H,9-12,16H2,1-3H3,(H,31,35)
InChIKeyQUHDKZCVXSMVCQ-UHFFFAOYSA-N
XLogP4.70
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methylquinolin-2-yl]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methylquinolin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methylquinolin-2-yl]-1H-pyridin-2-one (CID 50938721) is 6-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methylquinolin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methylquinolin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methylquinolin-2-yl]-1H-pyridin-2-one is Cc1c(-c2cccc(=O)[nH]2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21.
What is the InChIKey of 6-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methylquinolin-2-yl]-1H-pyridin-2-one?
The InChIKey is QUHDKZCVXSMVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O2/c1-17-25(21-5-4-6-24(35)31-21)32-22-13-18(29)7-8-20(22)26(17)34-16-28(2,3)27-23(34)14-19(15-30-27)33-9-11-36-12-10-33/h4-8,13-15H,9-12,16H2,1-3H3,(H,31,35).
What are the key properties of 6-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methylquinolin-2-yl]-1H-pyridin-2-one?
6-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methylquinolin-2-yl]-1H-pyridin-2-one has a molecular weight of 485.56 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methylquinolin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 50938721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).