2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide

C27H28FN3O4 — CID 123741727

IUPAC2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)(C)C1c2ccc(-c3ccc(C(C)(C)O)cc3)nc2Oc2c(F)cccc21
InChIInChI=1S/C27H28FN3O4/c1-26(2,24(32)31-25(33)29-5)21-17-7-6-8-19(28)22(17)35-23-18(21)13-14-20(30-23)15-9-11-16(12-10-15)27(3,4)34/h6-14,21,34H,1-5H3,(H2,29,31,32,33)
InChIKeyISJOKWLMAMNSIJ-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.83
Rot. Bonds4

About 2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide

2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide (PubChem CID 123741727) has the molecular formula C27H28FN3O4 and a molecular weight of 477.54 g/mol. Its IUPAC name is 2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide
PubChem CID123741727
Molecular FormulaC27H28FN3O4
Molecular Weight477.54 g/mol
Exact Mass477.21
IUPAC Name2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)(C)C1c2ccc(-c3ccc(C(C)(C)O)cc3)nc2Oc2c(F)cccc21
InChIInChI=1S/C27H28FN3O4/c1-26(2,24(32)31-25(33)29-5)21-17-7-6-8-19(28)22(17)35-23-18(21)13-14-20(30-23)15-9-11-16(12-10-15)27(3,4)34/h6-14,21,34H,1-5H3,(H2,29,31,32,33)
InChIKeyISJOKWLMAMNSIJ-UHFFFAOYSA-N
XLogP4.83
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide (CID 123741727) is 2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)(C)C1c2ccc(-c3ccc(C(C)(C)O)cc3)nc2Oc2c(F)cccc21.
What is the InChIKey of 2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide?
The InChIKey is ISJOKWLMAMNSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O4/c1-26(2,24(32)31-25(33)29-5)21-17-7-6-8-19(28)22(17)35-23-18(21)13-14-20(30-23)15-9-11-16(12-10-15)27(3,4)34/h6-14,21,34H,1-5H3,(H2,29,31,32,33).
What are the key properties of 2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide?
2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide has a molecular weight of 477.54 g/mol, XLogP of 4.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 123741727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).