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

C23H24FN5O2S — CID 137488611

IUPAC3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)ccc4C3)c(N)c2cc1F
InChIInChI=1S/C23H24FN5O2S/c1-11-18(24)7-17-20(25)21(32-23(17)26-11)22(30)28-15-4-12-2-3-16(6-19(12)31-10-15)29-8-13-5-14(9-29)27-13/h2-3,6-7,13-15,27H,4-5,8-10,25H2,1H3,(H,28,30)/t13?,14?,15-/m1/s1
InChIKeyUUTYNJMCAMIZQX-YMAMQOFZSA-N
MW453.54 g/mol
LogP2.61
Rot. Bonds3

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

3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 137488611) 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)-3,4-dihydro-2H-chromen-3-yl]-5-fluoro-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)-3,4-dihydro-2H-chromen-3-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID137488611
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)-3,4-dihydro-2H-chromen-3-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)ccc4C3)c(N)c2cc1F
InChIInChI=1S/C23H24FN5O2S/c1-11-18(24)7-17-20(25)21(32-23(17)26-11)22(30)28-15-4-12-2-3-16(6-19(12)31-10-15)29-8-13-5-14(9-29)27-13/h2-3,6-7,13-15,27H,4-5,8-10,25H2,1H3,(H,28,30)/t13?,14?,15-/m1/s1
InChIKeyUUTYNJMCAMIZQX-YMAMQOFZSA-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)-3,4-dihydro-2H-chromen-3-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004107
8-amino-N-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-1,4-ethanothieno[2,3-b][1,5]naphthyridine-7-carboxamide
CID 4912524
3-amino-6-benzyl-N-(4-ethoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 16008925
3-amino-6-benzyl-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866562
3-amino-6-(difluoromethoxy)-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 141734491
3-amino-6-methoxy-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 141734503
3-amino-6-methyl-N-[2-[4-[[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 141734563
3-amino-6-methyl-N-[2-[4-[[(7R)-5-oxa-2-azaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 141734588
3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
CID 153311018
3-amino-6-ethoxy-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 153311104
3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155556612
3-amino-N-[2-(2,5-difluoro-4-piperazin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide
CID 155564119

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5-fluoro-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)-3,4-dihydro-2H-chromen-3-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 137488611) is 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5-fluoro-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)-3,4-dihydro-2H-chromen-3-yl]-5-fluoro-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)-3,4-dihydro-2H-chromen-3-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)ccc4C3)c(N)c2cc1F.
What is the InChIKey of 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UUTYNJMCAMIZQX-YMAMQOFZSA-N. The full InChI is InChI=1S/C23H24FN5O2S/c1-11-18(24)7-17-20(25)21(32-23(17)26-11)22(30)28-15-4-12-2-3-16(6-19(12)31-10-15)29-8-13-5-14(9-29)27-13/h2-3,6-7,13-15,27H,4-5,8-10,25H2,1H3,(H,28,30)/t13?,14?,15-/m1/s1.
What are the key properties of 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5-fluoro-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)-3,4-dihydro-2H-chromen-3-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 137488611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).