3-[[5-(tert-butylamino)-2-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol

C18H25N5OS — CID 154684743

IUPAC3-[[5-(tert-butylamino)-2-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol
SMILESCn1cc(-c2cc3nc(NC(C)(C)C)cc(NCCCO)c3s2)cn1
InChIInChI=1S/C18H25N5OS/c1-18(2,3)22-16-9-13(19-6-5-7-24)17-14(21-16)8-15(25-17)12-10-20-23(4)11-12/h8-11,24H,5-7H2,1-4H3,(H2,19,21,22)
InChIKeyHKZYKCXVJYVDRV-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.70
Rot. Bonds6

About 3-[[5-(tert-butylamino)-2-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol

3-[[5-(tert-butylamino)-2-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol (PubChem CID 154684743) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-[[5-(tert-butylamino)-2-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-(tert-butylamino)-2-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol
PubChem CID154684743
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name3-[[5-(tert-butylamino)-2-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol
SMILESCn1cc(-c2cc3nc(NC(C)(C)C)cc(NCCCO)c3s2)cn1
InChIInChI=1S/C18H25N5OS/c1-18(2,3)22-16-9-13(19-6-5-7-24)17-14(21-16)8-15(25-17)12-10-20-23(4)11-12/h8-11,24H,5-7H2,1-4H3,(H2,19,21,22)
InChIKeyHKZYKCXVJYVDRV-UHFFFAOYSA-N
XLogP3.70
TPSA75.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-(tert-butylamino)-2-(6-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol
CID 154684781
[(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
6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol
CID 107703485
6-(4-fluorophenyl)-2-(1-methylpyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 138994697
1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol
CID 154684721
N-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine
CID 176991048
2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 80953067
6-ethyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 62201696
2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65197995
N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine
CID 79778925
6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 55045442
2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 65196493

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(tert-butylamino)-2-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol?
The IUPAC name of 3-[[5-(tert-butylamino)-2-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol (CID 154684743) is 3-[[5-(tert-butylamino)-2-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[5-(tert-butylamino)-2-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[5-(tert-butylamino)-2-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol is Cn1cc(-c2cc3nc(NC(C)(C)C)cc(NCCCO)c3s2)cn1.
What is the InChIKey of 3-[[5-(tert-butylamino)-2-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol?
The InChIKey is HKZYKCXVJYVDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-18(2,3)22-16-9-13(19-6-5-7-24)17-14(21-16)8-15(25-17)12-10-20-23(4)11-12/h8-11,24H,5-7H2,1-4H3,(H2,19,21,22).
What are the key properties of 3-[[5-(tert-butylamino)-2-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol?
3-[[5-(tert-butylamino)-2-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol has a molecular weight of 359.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(tert-butylamino)-2-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol is sourced from PubChem (CID 154684743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).