3-amino-N-[(3R)-8-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C24H25FN6O2S — CID 149127297

IUPAC3-amino-N-[(3R)-8-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4c(C#N)c(N5CCNCC5)cc(F)c4C3)sc2n1
InChIInChI=1S/C24H25FN6O2S/c1-12-7-13(2)29-24-19(12)20(27)22(34-24)23(32)30-14-8-15-17(25)9-18(31-5-3-28-4-6-31)16(10-26)21(15)33-11-14/h7,9,14,28H,3-6,8,11,27H2,1-2H3,(H,30,32)/t14-/m1/s1
InChIKeyRBDNFNYUSSIIKI-CQSZACIVSA-N
MW480.57 g/mol
LogP2.65
Rot. Bonds3

About 3-amino-N-[(3R)-8-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-8-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 149127297) has the molecular formula C24H25FN6O2S and a molecular weight of 480.57 g/mol. Its IUPAC name is 3-amino-N-[(3R)-8-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-8-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID149127297
Molecular FormulaC24H25FN6O2S
Molecular Weight480.57 g/mol
Exact Mass480.17
IUPAC Name3-amino-N-[(3R)-8-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4c(C#N)c(N5CCNCC5)cc(F)c4C3)sc2n1
InChIInChI=1S/C24H25FN6O2S/c1-12-7-13(2)29-24-19(12)20(27)22(34-24)23(32)30-14-8-15-17(25)9-18(31-5-3-28-4-6-31)16(10-26)21(15)33-11-14/h7,9,14,28H,3-6,8,11,27H2,1-2H3,(H,30,32)/t14-/m1/s1
InChIKeyRBDNFNYUSSIIKI-CQSZACIVSA-N
XLogP2.65
TPSA116.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[(3R)-8-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 151201250
N-[(3R)-7-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;(1aR,7bS)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide
CID 167711406
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-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
5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 172539755
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
7-amino-N-[(2S)-8-fluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 137488629
N-[(3R)-7-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167664080
7-amino-N-[(2S)-7-fluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 147748801
3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 865531
3-amino-4,6-dimethyl-N-(thiolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 103065140
3-amino-N-[2-(3-chloro-4-piperazin-1-ylphenyl)ethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 155566919

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-8-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-8-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 149127297) is 3-amino-N-[(3R)-8-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-8-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-8-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4c(C#N)c(N5CCNCC5)cc(F)c4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-8-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RBDNFNYUSSIIKI-CQSZACIVSA-N. The full InChI is InChI=1S/C24H25FN6O2S/c1-12-7-13(2)29-24-19(12)20(27)22(34-24)23(32)30-14-8-15-17(25)9-18(31-5-3-28-4-6-31)16(10-26)21(15)33-11-14/h7,9,14,28H,3-6,8,11,27H2,1-2H3,(H,30,32)/t14-/m1/s1.
What are the key properties of 3-amino-N-[(3R)-8-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-8-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-8-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 149127297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).