7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C23H24F2N6O2S — CID 151420796

IUPAC7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@H]3COc4c(F)c(N5CC6CCC(C5)N6)cc(F)c4C3)sc2n1
InChIInChI=1S/C23H24F2N6O2S/c1-10-6-27-19-18(26)21(34-23(19)28-10)22(32)30-13-4-14-15(24)5-16(17(25)20(14)33-9-13)31-7-11-2-3-12(8-31)29-11/h5-6,11-13,29H,2-4,7-9,26H2,1H3,(H,30,32)/t11?,12?,13-/m1/s1
InChIKeyPAMOGRQAXHZSDW-WXRRBKDZSA-N
MW486.55 g/mol
LogP2.53
Rot. Bonds3

About 7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 151420796) has the molecular formula C23H24F2N6O2S and a molecular weight of 486.55 g/mol. Its IUPAC name is 7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID151420796
Molecular FormulaC23H24F2N6O2S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC Name7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@H]3COc4c(F)c(N5CC6CCC(C5)N6)cc(F)c4C3)sc2n1
InChIInChI=1S/C23H24F2N6O2S/c1-10-6-27-19-18(26)21(34-23(19)28-10)22(32)30-13-4-14-15(24)5-16(17(25)20(14)33-9-13)31-7-11-2-3-12(8-31)29-11/h5-6,11-13,29H,2-4,7-9,26H2,1H3,(H,30,32)/t11?,12?,13-/m1/s1
InChIKeyPAMOGRQAXHZSDW-WXRRBKDZSA-N
XLogP2.53
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-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-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 151420796) is 7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-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-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)N[C@H]3COc4c(F)c(N5CC6CCC(C5)N6)cc(F)c4C3)sc2n1.
What is the InChIKey of 7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is PAMOGRQAXHZSDW-WXRRBKDZSA-N. The full InChI is InChI=1S/C23H24F2N6O2S/c1-10-6-27-19-18(26)21(34-23(19)28-10)22(32)30-13-4-14-15(24)5-16(17(25)20(14)33-9-13)31-7-11-2-3-12(8-31)29-11/h5-6,11-13,29H,2-4,7-9,26H2,1H3,(H,30,32)/t11?,12?,13-/m1/s1.
What are the key properties of 7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 486.55 g/mol, XLogP of 2.53, 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-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 151420796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).