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

C21H23F2N5OS — CID 146364502

IUPAC3-amino-N-[(2S)-6-(2-aminoethylamino)-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(NCCN)cc(F)c4C3)sc2n1
InChIInChI=1S/C21H23F2N5OS/c1-10-2-4-13-18(25)19(30-21(13)27-10)20(29)28-11-3-5-12-14(8-11)15(22)9-16(17(12)23)26-7-6-24/h2,4,9,11,26H,3,5-8,24-25H2,1H3,(H,28,29)/t11-/m0/s1
InChIKeyLAZUNOJBDPFMKT-NSHDSACASA-N
MW431.51 g/mol
LogP3.12
Rot. Bonds5

About 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

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 (PubChem CID 146364502) has the molecular formula C21H23F2N5OS and a molecular weight of 431.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-amino-N-[(2S)-6-(2-aminoethylamino)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID146364502
Molecular FormulaC21H23F2N5OS
Molecular Weight431.51 g/mol
Exact Mass431.16
IUPAC Name3-amino-N-[(2S)-6-(2-aminoethylamino)-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(NCCN)cc(F)c4C3)sc2n1
InChIInChI=1S/C21H23F2N5OS/c1-10-2-4-13-18(25)19(30-21(13)27-10)20(29)28-11-3-5-12-14(8-11)15(22)9-16(17(12)23)26-7-6-24/h2,4,9,11,26H,3,5-8,24-25H2,1H3,(H,28,29)/t11-/m0/s1
InChIKeyLAZUNOJBDPFMKT-NSHDSACASA-N
XLogP3.12
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 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 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-(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
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-[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
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-[(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-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 150652274
3-amino-6-methyl-N-[(3R)-5,6,8-trifluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 137480679
3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 167224690
3-amino-6-methyl-N-[(3R)-5,6,8-trifluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 167224667
N-[(3R)-7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 168959710

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4c(F)c(NCCN)cc(F)c4C3)sc2n1.
What is the InChIKey of 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?
The InChIKey is LAZUNOJBDPFMKT-NSHDSACASA-N. The full InChI is InChI=1S/C21H23F2N5OS/c1-10-2-4-13-18(25)19(30-21(13)27-10)20(29)28-11-3-5-12-14(8-11)15(22)9-16(17(12)23)26-7-6-24/h2,4,9,11,26H,3,5-8,24-25H2,1H3,(H,28,29)/t11-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 431.51 g/mol, XLogP of 3.12, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146364502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).