3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol

C14H15N5OS — CID 154684709

IUPAC3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol
SMILESNc1cc(NC2CC(O)C2)c2sc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C14H15N5OS/c15-13-6-11(17-7-3-8(20)4-7)14-10(18-13)5-12(21-14)9-1-2-16-19-9/h1-2,5-8,20H,3-4H2,(H,16,19)(H3,15,17,18)
InChIKeyPZOHUXIMXMPTKI-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.20
Rot. Bonds3

About 3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol

3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol (PubChem CID 154684709) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol
PubChem CID154684709
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol
SMILESNc1cc(NC2CC(O)C2)c2sc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C14H15N5OS/c15-13-6-11(17-7-3-8(20)4-7)14-10(18-13)5-12(21-14)9-1-2-16-19-9/h1-2,5-8,20H,3-4H2,(H,16,19)(H3,15,17,18)
InChIKeyPZOHUXIMXMPTKI-UHFFFAOYSA-N
XLogP2.20
TPSA99.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol with MolForge

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Related Compounds

2-[[7-(2,2-difluoroethylamino)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-yl]amino]ethanol
CID 156201056
N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)-5-pyrrolidin-1-ylthieno[3,2-b]pyridin-7-amine
CID 156201081
2-[[7-(2,2-difluoroethylamino)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-yl]amino]acetic acid
CID 156201110
7-N-(2,2-difluoroethyl)-5-N-ethyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 156217450
7-N-(2,2-difluoroethyl)-5-N,5-N-diethyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 156217773
7-N-(2,2-difluoroethyl)-5-N-propan-2-yl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 156217840
5-N-cyclopropyl-7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 156217843
7-N-(2,2-difluoroethyl)-5-N,5-N-dimethyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 156217871
5-N-tert-butyl-7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 156217880
7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 162784912
7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 162784919
3-[[5-Amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol
CID 162784983

Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol?
The IUPAC name of 3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol (CID 154684709) is 3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol is Nc1cc(NC2CC(O)C2)c2sc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol?
The InChIKey is PZOHUXIMXMPTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c15-13-6-11(17-7-3-8(20)4-7)14-10(18-13)5-12(21-14)9-1-2-16-19-9/h1-2,5-8,20H,3-4H2,(H,16,19)(H3,15,17,18).
What are the key properties of 3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol?
3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol has a molecular weight of 301.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 154684709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).