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

C13H14FN5OS — CID 162784983

IUPAC3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol
SMILESNc1cc(NCCCO)c2sc(-n3cc(F)cn3)cc2n1
InChIInChI=1S/C13H14FN5OS/c14-8-6-17-19(7-8)12-5-10-13(21-12)9(4-11(15)18-10)16-2-1-3-20/h4-7,20H,1-3H2,(H3,15,16,18)
InChIKeyPNBYPKGGVGICFZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.00
Rot. Bonds5

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

3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol (PubChem CID 162784983) has the molecular formula C13H14FN5OS and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol
PubChem CID162784983
Molecular FormulaC13H14FN5OS
Molecular Weight307.35 g/mol
Exact Mass307.09
IUPAC Name3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol
SMILESNc1cc(NCCCO)c2sc(-n3cc(F)cn3)cc2n1
InChIInChI=1S/C13H14FN5OS/c14-8-6-17-19(7-8)12-5-10-13(21-12)9(4-11(15)18-10)16-2-1-3-20/h4-7,20H,1-3H2,(H3,15,16,18)
InChIKeyPNBYPKGGVGICFZ-UHFFFAOYSA-N
XLogP2.00
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol with MolForge

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Related Compounds

(2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol
CID 164633310
2-[[7-(2,2-difluoroethylamino)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-yl]amino]ethanol
CID 156201056
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-dimethyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 156217871
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
trans-(1S,3S)-3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
CID 162785030
trans-(1S,3S)-3-[[5-(ethylamino)-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
CID 166905373
3-[[2-(4-Fluoropyrazol-1-yl)-5-(methylamino)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol
CID 166905377
3-[[2-(4-Fluoropyrazol-1-yl)-5-(methylamino)-2,3-dihydrothieno[3,2-b]pyridin-7-yl]amino]propan-1-ol
CID 166905481
7-N-(2,2-difluoroethyl)-5-N-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 171061673
2-[4-[4-[2-(2-Amino-1,3-thiazol-5-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]pyrazol-1-yl]ethanol
CID 89018270

Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol?
The IUPAC name of 3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol (CID 162784983) is 3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol is Nc1cc(NCCCO)c2sc(-n3cc(F)cn3)cc2n1.
What is the InChIKey of 3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol?
The InChIKey is PNBYPKGGVGICFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5OS/c14-8-6-17-19(7-8)12-5-10-13(21-12)9(4-11(15)18-10)16-2-1-3-20/h4-7,20H,1-3H2,(H3,15,16,18).
What are the key properties of 3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol?
3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol has a molecular weight of 307.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol is sourced from PubChem (CID 162784983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).