1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone

C26H36N6O2S — CID 154684790

IUPAC1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(NC(C)(C)C)nc3cc(-c4ccnn4C4CCCCO4)sc23)CC1
InChIInChI=1S/C26H36N6O2S/c1-17(33)31-12-9-18(10-13-31)28-20-16-23(30-26(2,3)4)29-19-15-22(35-25(19)20)21-8-11-27-32(21)24-7-5-6-14-34-24/h8,11,15-16,18,24H,5-7,9-10,12-14H2,1-4H3,(H2,28,29,30)
InChIKeyQNSQRVNXNITFKX-UHFFFAOYSA-N
MW496.68 g/mol
LogP5.49
Rot. Bonds5

About 1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone

1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone (PubChem CID 154684790) has the molecular formula C26H36N6O2S and a molecular weight of 496.68 g/mol. Its IUPAC name is 1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone
PubChem CID154684790
Molecular FormulaC26H36N6O2S
Molecular Weight496.68 g/mol
Exact Mass496.26
IUPAC Name1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(NC(C)(C)C)nc3cc(-c4ccnn4C4CCCCO4)sc23)CC1
InChIInChI=1S/C26H36N6O2S/c1-17(33)31-12-9-18(10-13-31)28-20-16-23(30-26(2,3)4)29-19-15-22(35-25(19)20)21-8-11-27-32(21)24-7-5-6-14-34-24/h8,11,15-16,18,24H,5-7,9-10,12-14H2,1-4H3,(H2,28,29,30)
InChIKeyQNSQRVNXNITFKX-UHFFFAOYSA-N
XLogP5.49
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.68
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6R)-2,6-dimethyl-4-[6-(2-methylpyrazol-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]morpholine
CID 137661561
5-N-tert-butyl-7-N-(2,2-difluoroethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine
CID 162784868
5-N-tert-butyl-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine
CID 162784952
5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine
CID 162784974
5-N-tert-butyl-7-N-(4,4-difluorocyclohexyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine
CID 162785034
1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 122470519
1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 122470537
N-[4-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]prop-2-enamide
CID 122483325
1-[(3R)-3-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 134272362
trans-(1S,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
CID 154684704
N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide
CID 154684705
3-[[5-(Tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2,2-dimethylpropan-1-ol
CID 154684708

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone (CID 154684790) is 1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2cc(NC(C)(C)C)nc3cc(-c4ccnn4C4CCCCO4)sc23)CC1.
What is the InChIKey of 1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is QNSQRVNXNITFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2S/c1-17(33)31-12-9-18(10-13-31)28-20-16-23(30-26(2,3)4)29-19-15-22(35-25(19)20)21-8-11-27-32(21)24-7-5-6-14-34-24/h8,11,15-16,18,24H,5-7,9-10,12-14H2,1-4H3,(H2,28,29,30).
What are the key properties of 1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 496.68 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 154684790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).