9-[1-(2-amino-6-methylthieno[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

C25H34N6O2S — CID 59279757

IUPAC9-[1-(2-amino-6-methylthieno[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)ccc45)CC3)C2)C(=O)N1C(C)C
InChIInChI=1S/C25H34N6O2S/c1-15(2)31-17(4)28-25(24(31)33)10-5-11-30(14-25)18-8-12-29(13-9-18)23(32)20-19-7-6-16(3)27-22(19)34-21(20)26/h6-7,15,18H,5,8-14,26H2,1-4H3
InChIKeySTPMLKUDWQYTFG-UHFFFAOYSA-N
MW482.65 g/mol
LogP3.30
Rot. Bonds3

About 9-[1-(2-amino-6-methylthieno[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-6-methylthieno[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 59279757) has the molecular formula C25H34N6O2S and a molecular weight of 482.65 g/mol. Its IUPAC name is 9-[1-(2-amino-6-methylthieno[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-6-methylthieno[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 CID59279757
Molecular FormulaC25H34N6O2S
Molecular Weight482.65 g/mol
Exact Mass482.25
IUPAC Name9-[1-(2-amino-6-methylthieno[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)ccc45)CC3)C2)C(=O)N1C(C)C
InChIInChI=1S/C25H34N6O2S/c1-15(2)31-17(4)28-25(24(31)33)10-5-11-30(14-25)18-8-12-29(13-9-18)23(32)20-19-7-6-16(3)27-22(19)34-21(20)26/h6-7,15,18H,5,8-14,26H2,1-4H3
InChIKeySTPMLKUDWQYTFG-UHFFFAOYSA-N
XLogP3.30
TPSA95.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-[1-(2-amino-6-methylthieno[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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Launch Full Analysis

Related Compounds

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
tert-butyl N-[6-methyl-3-[4-(2-methyl-4-oxo-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamate
CID 59279665
1-ethyl-3-[3-[4-(2-methyl-4-oxo-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]urea
CID 24957449
[6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid
CID 68666227
1-[1-[6-methyl-2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-yl-3-sulfanylpiperidine-3-carboxamide
CID 143727204
9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-3-(cyclobutylmethyl)-2-methyl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 59373277
[3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid
CID 68664637
tert-butyl N-[3-[4-(1,3-dioxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-5,6-dimethylthieno[2,3-b]pyridin-2-yl]carbamate
CID 59279771
[1-[(3R)-1-[1-(2-amino-5,6-dimethylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-3-methylpiperidin-3-yl]-2-methylpropan-2-yl] formate
CID 89121842
9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 59373502
9-[1-(2-amino-1-benzothiophene-3-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one;ethane
CID 143399259
tert-butyl-[3-[4-(3-ethyl-2-methyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]carbamic acid
CID 68666128

Frequently Asked Questions

What is the IUPAC name of 9-[1-(2-amino-6-methylthieno[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-6-methylthieno[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 59279757) is 9-[1-(2-amino-6-methylthieno[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-6-methylthieno[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-6-methylthieno[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)ccc45)CC3)C2)C(=O)N1C(C)C.
What is the InChIKey of 9-[1-(2-amino-6-methylthieno[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 STPMLKUDWQYTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2S/c1-15(2)31-17(4)28-25(24(31)33)10-5-11-30(14-25)18-8-12-29(13-9-18)23(32)20-19-7-6-16(3)27-22(19)34-21(20)26/h6-7,15,18H,5,8-14,26H2,1-4H3.
What are the key properties of 9-[1-(2-amino-6-methylthieno[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-6-methylthieno[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 482.65 g/mol, XLogP of 3.30, 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-6-methylthieno[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 59279757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).