3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol

C20H26N4OS — CID 154684781

IUPAC3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol
SMILESCc1cccc(-c2cc3nc(NC(C)(C)C)cc(NCCCO)c3s2)n1
InChIInChI=1S/C20H26N4OS/c1-13-7-5-8-14(22-13)17-11-16-19(26-17)15(21-9-6-10-25)12-18(23-16)24-20(2,3)4/h5,7-8,11-12,25H,6,9-10H2,1-4H3,(H2,21,23,24)
InChIKeyDYQNDIAFNAKKRC-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.67
Rot. Bonds6

About 3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol

3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol (PubChem CID 154684781) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol
PubChem CID154684781
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol
SMILESCc1cccc(-c2cc3nc(NC(C)(C)C)cc(NCCCO)c3s2)n1
InChIInChI=1S/C20H26N4OS/c1-13-7-5-8-14(22-13)17-11-16-19(26-17)15(21-9-6-10-25)12-18(23-16)24-20(2,3)4/h5,7-8,11-12,25H,6,9-10H2,1-4H3,(H2,21,23,24)
InChIKeyDYQNDIAFNAKKRC-UHFFFAOYSA-N
XLogP4.67
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol with MolForge

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Related Compounds

3-[[5-(tert-butylamino)-2-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol
CID 154684743
3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid
CID 163477189
3-(2-methylanilino)propan-1-ol
CID 18005925
3-[(2-methyl-3-pyridinyl)amino]propan-1-ol
CID 19782834
6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
CID 133434482
[(Z)-3-amino-3-[5-(tert-butylamino)-7-[2-(2-oxopyrrolidin-1-yl)ethylamino]thieno[3,2-b]pyridin-2-yl]prop-2-enylidene]azanium
CID 163514167
4-N-tert-butyl-2-(6-methyl-2-pyridinyl)-6-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,6-diamine
CID 121388250
N,6-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 55220926
3-(quinolin-2-ylamino)propan-1-ol
CID 581988
3-(3-hydroxypropylamino)-2-methylbenzonitrile
CID 130644755
2-methyl-N-[[2-(6-methyl-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365821
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870568

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol?
The IUPAC name of 3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol (CID 154684781) is 3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol is Cc1cccc(-c2cc3nc(NC(C)(C)C)cc(NCCCO)c3s2)n1.
What is the InChIKey of 3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol?
The InChIKey is DYQNDIAFNAKKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-13-7-5-8-14(22-13)17-11-16-19(26-17)15(21-9-6-10-25)12-18(23-16)24-20(2,3)4/h5,7-8,11-12,25H,6,9-10H2,1-4H3,(H2,21,23,24).
What are the key properties of 3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol?
3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol has a molecular weight of 370.52 g/mol, XLogP of 4.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol is sourced from PubChem (CID 154684781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).