(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione

About (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione

(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 58053644) has the molecular formula C30H29FN6O5 and a molecular weight of 572.60 g/mol. Its IUPAC name is (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name	(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
PubChem CID	58053644
Molecular Formula	C30H29FN6O5
Molecular Weight	572.60 g/mol
Exact Mass	572.22
IUPAC Name	(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
SMILES	COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(N(c5cn[nH]c5)C5CCCCC5)ccc4o3)CC(=O)NC1=O)C2
InChI	InChI=1S/C30H29FN6O5/c1-41-22-8-7-17-15-36(28(39)26(17)27(22)31)16-30(12-25(38)35-29(30)40)23-11-20-21(42-23)9-10-24(34-20)37(19-13-32-33-14-19)18-5-3-2-4-6-18/h7-11,13-14,18H,2-6,12,15-16H2,1H3,(H,32,33)(H,35,38,40)/t30-/m1/s1
InChIKey	QAOKVRXCVXGPRH-SSEXGKCCSA-N
XLogP	4.11
TPSA	133.66 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.60
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?

The IUPAC name of (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (CID 58053644) is (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

What is the SMILES notation for (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?

The canonical SMILES for (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(N(c5cn[nH]c5)C5CCCCC5)ccc4o3)CC(=O)NC1=O)C2.

What is the InChIKey of (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?

The InChIKey is QAOKVRXCVXGPRH-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H29FN6O5/c1-41-22-8-7-17-15-36(28(39)26(17)27(22)31)16-30(12-25(38)35-29(30)40)23-11-20-21(42-23)9-10-24(34-20)37(19-13-32-33-14-19)18-5-3-2-4-6-18/h7-11,13-14,18H,2-6,12,15-16H2,1H3,(H,32,33)(H,35,38,40)/t30-/m1/s1.

What are the key properties of (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?

(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 572.60 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58053644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).