9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one

C26H36N6O2S — CID 59279749

IUPAC9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCCN(C3CCN(C(=O)c4c(N)sc5nc(C)c(C)cc45)CC3)C2)C(=O)N1C(C)C
InChIInChI=1S/C26H36N6O2S/c1-15(2)32-18(5)29-26(25(32)34)9-6-10-31(14-26)19-7-11-30(12-8-19)24(33)21-20-13-16(3)17(4)28-23(20)35-22(21)27/h13,15,19H,6-12,14,27H2,1-5H3
InChIKeyBEHSVVJMEOYNEL-UHFFFAOYSA-N
MW496.68 g/mol
LogP3.60
Rot. Bonds3

About 9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one

9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 59279749) has the molecular formula C26H36N6O2S and a molecular weight of 496.68 g/mol. Its IUPAC name is 9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
PubChem CID59279749
Molecular FormulaC26H36N6O2S
Molecular Weight496.68 g/mol
Exact Mass496.26
IUPAC Name9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCCN(C3CCN(C(=O)c4c(N)sc5nc(C)c(C)cc45)CC3)C2)C(=O)N1C(C)C
InChIInChI=1S/C26H36N6O2S/c1-15(2)32-18(5)29-26(25(32)34)9-6-10-31(14-26)19-7-11-30(12-8-19)24(33)21-20-13-16(3)17(4)28-23(20)35-22(21)27/h13,15,19H,6-12,14,27H2,1-5H3
InChIKeyBEHSVVJMEOYNEL-UHFFFAOYSA-N
XLogP3.60
TPSA95.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.68
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one (CID 59279749) is 9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one is CC1=NC2(CCCN(C3CCN(C(=O)c4c(N)sc5nc(C)c(C)cc45)CC3)C2)C(=O)N1C(C)C.
What is the InChIKey of 9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is BEHSVVJMEOYNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2S/c1-15(2)32-18(5)29-26(25(32)34)9-6-10-31(14-26)19-7-11-30(12-8-19)24(33)21-20-13-16(3)17(4)28-23(20)35-22(21)27/h13,15,19H,6-12,14,27H2,1-5H3.
What are the key properties of 9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 496.68 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 59279749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).