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

C21H21FN6O2S — CID 167225744

IUPAC7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-fluorothieno[2,3-b]pyrazine-6-carboxamide
SMILESNc1c(C(=O)N[C@H]2COc3cc(N4CC5CC(C4)N5)ccc3C2)sc2nc(F)cnc12
InChIInChI=1S/C21H21FN6O2S/c22-16-6-24-18-17(23)19(31-21(18)27-16)20(29)26-13-3-10-1-2-14(5-15(10)30-9-13)28-7-11-4-12(8-28)25-11/h1-2,5-6,11-13,25H,3-4,7-9,23H2,(H,26,29)/t11?,12?,13-/m1/s1
InChIKeyICTYTJRUOHQENG-WXRRBKDZSA-N
MW440.50 g/mol
LogP1.70
Rot. Bonds3

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

7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-fluorothieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 167225744) has the molecular formula C21H21FN6O2S and a molecular weight of 440.50 g/mol. Its IUPAC name is 7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-fluorothieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-fluorothieno[2,3-b]pyrazine-6-carboxamide
PubChem CID167225744
Molecular FormulaC21H21FN6O2S
Molecular Weight440.50 g/mol
Exact Mass440.14
IUPAC Name7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-fluorothieno[2,3-b]pyrazine-6-carboxamide
SMILESNc1c(C(=O)N[C@H]2COc3cc(N4CC5CC(C4)N5)ccc3C2)sc2nc(F)cnc12
InChIInChI=1S/C21H21FN6O2S/c22-16-6-24-18-17(23)19(31-21(18)27-16)20(29)26-13-3-10-1-2-14(5-15(10)30-9-13)28-7-11-4-12(8-28)25-11/h1-2,5-6,11-13,25H,3-4,7-9,23H2,(H,26,29)/t11?,12?,13-/m1/s1
InChIKeyICTYTJRUOHQENG-WXRRBKDZSA-N
XLogP1.70
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-fluorothieno[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

Related Compounds

3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-fluorothieno[2,3-b]pyridine-2-carboxamide
CID 137488609
3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137488714
N-[7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide
CID 164809932
7-amino-N-[(3R)-5-fluoro-7-(6-oxa-3,8-diazabicyclo[3.2.2]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 146364817
3-amino-N-[(3R)-7-[(3R,4S)-3-ethyl-4-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167609536
3-amino-N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167224719
3-amino-N-[(3R)-7-[(3S,4R)-3-ethyl-4-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167609535
3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 166493063
6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 151712742
3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide
CID 172540507
6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 151712743
tert-butyl 7-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 137480429

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-fluorothieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-fluorothieno[2,3-b]pyrazine-6-carboxamide (CID 167225744) is 7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-fluorothieno[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)-3,4-dihydro-2H-chromen-3-yl]-3-fluorothieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-fluorothieno[2,3-b]pyrazine-6-carboxamide is Nc1c(C(=O)N[C@H]2COc3cc(N4CC5CC(C4)N5)ccc3C2)sc2nc(F)cnc12.
What is the InChIKey of 7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-fluorothieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is ICTYTJRUOHQENG-WXRRBKDZSA-N. The full InChI is InChI=1S/C21H21FN6O2S/c22-16-6-24-18-17(23)19(31-21(18)27-16)20(29)26-13-3-10-1-2-14(5-15(10)30-9-13)28-7-11-4-12(8-28)25-11/h1-2,5-6,11-13,25H,3-4,7-9,23H2,(H,26,29)/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)-3,4-dihydro-2H-chromen-3-yl]-3-fluorothieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-fluorothieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 1.70, 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)-3,4-dihydro-2H-chromen-3-yl]-3-fluorothieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 167225744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).