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

C22H23FN6O2S — CID 137488625

IUPAC7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)cc(F)c4C3)sc2n1
InChIInChI=1S/C22H23FN6O2S/c1-10-6-25-19-18(24)20(32-22(19)26-10)21(30)28-13-3-15-16(23)4-14(5-17(15)31-9-13)29-7-11-2-12(8-29)27-11/h4-6,11-13,27H,2-3,7-9,24H2,1H3,(H,28,30)/t11?,12?,13-/m1/s1
InChIKeyOHXHEFCFQAKJDT-WXRRBKDZSA-N
MW454.53 g/mol
LogP2.01
Rot. Bonds3

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

7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 137488625) has the molecular formula C22H23FN6O2S and a molecular weight of 454.53 g/mol. Its IUPAC name is 7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID137488625
Molecular FormulaC22H23FN6O2S
Molecular Weight454.53 g/mol
Exact Mass454.16
IUPAC Name7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)cc(F)c4C3)sc2n1
InChIInChI=1S/C22H23FN6O2S/c1-10-6-25-19-18(24)20(32-22(19)26-10)21(30)28-13-3-15-16(23)4-14(5-17(15)31-9-13)29-7-11-2-12(8-29)27-11/h4-6,11-13,27H,2-3,7-9,24H2,1H3,(H,28,30)/t11?,12?,13-/m1/s1
InChIKeyOHXHEFCFQAKJDT-WXRRBKDZSA-N
XLogP2.01
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 137488625) is 7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)cc(F)c4C3)sc2n1.
What is the InChIKey of 7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is OHXHEFCFQAKJDT-WXRRBKDZSA-N. The full InChI is InChI=1S/C22H23FN6O2S/c1-10-6-25-19-18(24)20(32-22(19)26-10)21(30)28-13-3-15-16(23)4-14(5-17(15)31-9-13)29-7-11-2-12(8-29)27-11/h4-6,11-13,27H,2-3,7-9,24H2,1H3,(H,28,30)/t11?,12?,13-/m1/s1.
What are the key properties of 7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 137488625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).