7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C23H25FN6O3S — CID 137489042

IUPAC7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)O6)cc(F)c4C3)sc2n1
InChIInChI=1S/C23H25FN6O3S/c1-11-5-27-20-19(25)21(34-23(20)28-11)22(31)29-12-2-16-17(24)3-13(4-18(16)32-10-12)30-8-14-6-26-7-15(9-30)33-14/h3-5,12,14-15,26H,2,6-10,25H2,1H3,(H,29,31)/t12-,14?,15?/m1/s1
InChIKeyHLPWYBWWWKHVHL-LRVUVFPRSA-N
MW484.56 g/mol
LogP1.63
Rot. Bonds3

About 7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 137489042) has the molecular formula C23H25FN6O3S and a molecular weight of 484.56 g/mol. Its IUPAC name is 7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID137489042
Molecular FormulaC23H25FN6O3S
Molecular Weight484.56 g/mol
Exact Mass484.17
IUPAC Name7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)O6)cc(F)c4C3)sc2n1
InChIInChI=1S/C23H25FN6O3S/c1-11-5-27-20-19(25)21(34-23(20)28-11)22(31)29-12-2-16-17(24)3-13(4-18(16)32-10-12)30-8-14-6-26-7-15(9-30)33-14/h3-5,12,14-15,26H,2,6-10,25H2,1H3,(H,29,31)/t12-,14?,15?/m1/s1
InChIKeyHLPWYBWWWKHVHL-LRVUVFPRSA-N
XLogP1.63
TPSA114.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-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 7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 137489042) is 7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-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)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-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(N5CC6CNCC(C5)O6)cc(F)c4C3)sc2n1.
What is the InChIKey of 7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is HLPWYBWWWKHVHL-LRVUVFPRSA-N. The full InChI is InChI=1S/C23H25FN6O3S/c1-11-5-27-20-19(25)21(34-23(20)28-11)22(31)29-12-2-16-17(24)3-13(4-18(16)32-10-12)30-8-14-6-26-7-15(9-30)33-14/h3-5,12,14-15,26H,2,6-10,25H2,1H3,(H,29,31)/t12-,14?,15?/m1/s1.
What are the key properties of 7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 137489042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).