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

C23H24FN5O2S — CID 137489675

IUPAC3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)cc(F)c4C3)sc2n1
InChIInChI=1S/C23H24FN5O2S/c1-11-2-3-16-20(25)21(32-23(16)26-11)22(30)28-14-5-17-18(24)6-15(7-19(17)31-10-14)29-8-12-4-13(9-29)27-12/h2-3,6-7,12-14,27H,4-5,8-10,25H2,1H3,(H,28,30)/t12?,13?,14-/m1/s1
InChIKeyMJSDNYRAYAVYQH-JXQTWKCFSA-N
MW453.54 g/mol
LogP2.61
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]-6-methylthieno[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]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 137489675) has the molecular formula C23H24FN5O2S and a molecular weight of 453.54 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]-6-methylthieno[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]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID137489675
Molecular FormulaC23H24FN5O2S
Molecular Weight453.54 g/mol
Exact Mass453.16
IUPAC Name3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)cc(F)c4C3)sc2n1
InChIInChI=1S/C23H24FN5O2S/c1-11-2-3-16-20(25)21(32-23(16)26-11)22(30)28-14-5-17-18(24)6-15(7-19(17)31-10-14)29-8-12-4-13(9-29)27-12/h2-3,6-7,12-14,27H,4-5,8-10,25H2,1H3,(H,28,30)/t12?,13?,14-/m1/s1
InChIKeyMJSDNYRAYAVYQH-JXQTWKCFSA-N
XLogP2.61
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.61
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]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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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]-6-methylthieno[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]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 137489675) is 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[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]-6-methylthieno[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]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(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]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MJSDNYRAYAVYQH-JXQTWKCFSA-N. The full InChI is InChI=1S/C23H24FN5O2S/c1-11-2-3-16-20(25)21(32-23(16)26-11)22(30)28-14-5-17-18(24)6-15(7-19(17)31-10-14)29-8-12-4-13(9-29)27-12/h2-3,6-7,12-14,27H,4-5,8-10,25H2,1H3,(H,28,30)/t12?,13?,14-/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]-6-methylthieno[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]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 2.61, 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]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 137489675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).