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

C23H26FN5O2S — CID 137480334

IUPAC3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N(C)[C@H]3COc4cc(N5CCNCC5)cc(F)c4C3)sc2n1
InChIInChI=1S/C23H26FN5O2S/c1-13-3-4-16-20(25)21(32-22(16)27-13)23(30)28(2)15-9-17-18(24)10-14(11-19(17)31-12-15)29-7-5-26-6-8-29/h3-4,10-11,15,26H,5-9,12,25H2,1-2H3/t15-/m1/s1
InChIKeyLMNZAXHAUJMGEA-OAHLLOKOSA-N
MW455.56 g/mol
LogP2.81
Rot. Bonds3

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

3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 137480334) has the molecular formula C23H26FN5O2S and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID137480334
Molecular FormulaC23H26FN5O2S
Molecular Weight455.56 g/mol
Exact Mass455.18
IUPAC Name3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N(C)[C@H]3COc4cc(N5CCNCC5)cc(F)c4C3)sc2n1
InChIInChI=1S/C23H26FN5O2S/c1-13-3-4-16-20(25)21(32-22(16)27-13)23(30)28(2)15-9-17-18(24)10-14(11-19(17)31-12-15)29-7-5-26-6-8-29/h3-4,10-11,15,26H,5-9,12,25H2,1-2H3/t15-/m1/s1
InChIKeyLMNZAXHAUJMGEA-OAHLLOKOSA-N
XLogP2.81
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 137480334) is 3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N(C)[C@H]3COc4cc(N5CCNCC5)cc(F)c4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LMNZAXHAUJMGEA-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H26FN5O2S/c1-13-3-4-16-20(25)21(32-22(16)27-13)23(30)28(2)15-9-17-18(24)10-14(11-19(17)31-12-15)29-7-5-26-6-8-29/h3-4,10-11,15,26H,5-9,12,25H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 137480334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).