3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C25H27F2N5OS — CID 137489561

IUPAC3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3CCc4c(F)c(N5CC6CCC(C5)N6)cc(F)c4C3)sc2n1
InChIInChI=1S/C25H27F2N5OS/c1-12-2-6-17-22(28)23(34-25(17)29-12)24(33)31-13-5-7-16-18(8-13)19(26)9-20(21(16)27)32-10-14-3-4-15(11-32)30-14/h2,6,9,13-15,30H,3-5,7-8,10-11,28H2,1H3,(H,31,33)/t13-,14?,15?/m0/s1
InChIKeyNHEMFKWTHQRAHO-NFOMZHRRSA-N
MW483.59 g/mol
LogP3.69
Rot. Bonds3

About 3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 137489561) has the molecular formula C25H27F2N5OS and a molecular weight of 483.59 g/mol. Its IUPAC name is 3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID137489561
Molecular FormulaC25H27F2N5OS
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC Name3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3CCc4c(F)c(N5CC6CCC(C5)N6)cc(F)c4C3)sc2n1
InChIInChI=1S/C25H27F2N5OS/c1-12-2-6-17-22(28)23(34-25(17)29-12)24(33)31-13-5-7-16-18(8-13)19(26)9-20(21(16)27)32-10-14-3-4-15(11-32)30-14/h2,6,9,13-15,30H,3-5,7-8,10-11,28H2,1H3,(H,31,33)/t13-,14?,15?/m0/s1
InChIKeyNHEMFKWTHQRAHO-NFOMZHRRSA-N
XLogP3.69
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[(2S)-5,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480560
3-amino-N-[(2S)-6-(2-aminoethylamino)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 146364502
tert-butyl 3-[6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-1-cyano-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 146349654
3-amino-N-[(2R)-5-cyano-8-fluoro-6-(6-methoxy-1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 166797086
3-amino-N-[(2R)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 151133422
3-amino-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167701860
3-amino-N-[(2S)-5-cyano-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-7-fluoro-6-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-5-fluoro-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167585198
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
3-amino-N-[(2R)-2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 153311061
4-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3-fluoro-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-1-carboxylic acid
CID 137481004
3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 172540504
3-[(6R)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-1-cyano-5,6,7,8-tetrahydronaphthalen-2-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 146349389

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 137489561) is 3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4c(F)c(N5CC6CCC(C5)N6)cc(F)c4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NHEMFKWTHQRAHO-NFOMZHRRSA-N. The full InChI is InChI=1S/C25H27F2N5OS/c1-12-2-6-17-22(28)23(34-25(17)29-12)24(33)31-13-5-7-16-18(8-13)19(26)9-20(21(16)27)32-10-14-3-4-15(11-32)30-14/h2,6,9,13-15,30H,3-5,7-8,10-11,28H2,1H3,(H,31,33)/t13-,14?,15?/m0/s1.
What are the key properties of 3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 137489561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).