3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C24H26FN5O2S — CID 137488624

IUPAC3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)cc(F)c4C3)sc2n1
InChIInChI=1S/C24H26FN5O2S/c1-11-3-12(2)27-24-20(11)21(26)22(33-24)23(31)29-15-5-17-18(25)6-16(7-19(17)32-10-15)30-8-13-4-14(9-30)28-13/h3,6-7,13-15,28H,4-5,8-10,26H2,1-2H3,(H,29,31)/t13?,14?,15-/m1/s1
InChIKeyNWYZHPPJRSSQKP-YMAMQOFZSA-N
MW467.57 g/mol
LogP2.92
Rot. Bonds3

About 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 137488624) has the molecular formula C24H26FN5O2S and a molecular weight of 467.57 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID137488624
Molecular FormulaC24H26FN5O2S
Molecular Weight467.57 g/mol
Exact Mass467.18
IUPAC Name3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)cc(F)c4C3)sc2n1
InChIInChI=1S/C24H26FN5O2S/c1-11-3-12(2)27-24-20(11)21(26)22(33-24)23(31)29-15-5-17-18(25)6-16(7-19(17)32-10-15)30-8-13-4-14(9-30)28-13/h3,6-7,13-15,28H,4-5,8-10,26H2,1-2H3,(H,29,31)/t13?,14?,15-/m1/s1
InChIKeyNWYZHPPJRSSQKP-YMAMQOFZSA-N
XLogP2.92
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide 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 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 137488624) is 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)cc(F)c4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NWYZHPPJRSSQKP-YMAMQOFZSA-N. The full InChI is InChI=1S/C24H26FN5O2S/c1-11-3-12(2)27-24-20(11)21(26)22(33-24)23(31)29-15-5-17-18(25)6-16(7-19(17)32-10-15)30-8-13-4-14(9-30)28-13/h3,6-7,13-15,28H,4-5,8-10,26H2,1-2H3,(H,29,31)/t13?,14?,15-/m1/s1.
What are the key properties of 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 137488624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).