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

C26H29FN6O2S — CID 166797086

IUPAC3-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
SMILESCOC1CNCCN(c2cc(F)c3c(c2C#N)CC[C@@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C1
InChIInChI=1S/C26H29FN6O2S/c1-14-3-5-18-23(29)24(36-26(18)31-14)25(34)32-15-4-6-17-19(9-15)21(27)10-22(20(17)11-28)33-8-7-30-12-16(13-33)35-2/h3,5,10,15-16,30H,4,6-9,12-13,29H2,1-2H3,(H,32,34)/t15-,16?/m1/s1
InChIKeyAFSCXNSYTLLYAX-AAFJCEBUSA-N
MW508.62 g/mol
LogP2.91
Rot. Bonds4

About 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

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 (PubChem CID 166797086) has the molecular formula C26H29FN6O2S and a molecular weight of 508.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID166797086
Molecular FormulaC26H29FN6O2S
Molecular Weight508.62 g/mol
Exact Mass508.21
IUPAC Name3-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
SMILESCOC1CNCCN(c2cc(F)c3c(c2C#N)CC[C@@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C1
InChIInChI=1S/C26H29FN6O2S/c1-14-3-5-18-23(29)24(36-26(18)31-14)25(34)32-15-4-6-17-19(9-15)21(27)10-22(20(17)11-28)33-8-7-30-12-16(13-33)35-2/h3,5,10,15-16,30H,4,6-9,12-13,29H2,1-2H3,(H,32,34)/t15-,16?/m1/s1
InChIKeyAFSCXNSYTLLYAX-AAFJCEBUSA-N
XLogP2.91
TPSA116.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.62
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC1CNCCN(c2cc(F)c3c(c2C#N)CC[C@@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C1.
What is the InChIKey of 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?
The InChIKey is AFSCXNSYTLLYAX-AAFJCEBUSA-N. The full InChI is InChI=1S/C26H29FN6O2S/c1-14-3-5-18-23(29)24(36-26(18)31-14)25(34)32-15-4-6-17-19(9-15)21(27)10-22(20(17)11-28)33-8-7-30-12-16(13-33)35-2/h3,5,10,15-16,30H,4,6-9,12-13,29H2,1-2H3,(H,32,34)/t15-,16?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 508.62 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166797086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).