4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol

C16H19N5OS — CID 154684786

IUPAC4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol
SMILESNc1cc(NC2CCC(O)CC2)c2sc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H19N5OS/c17-15-8-13(19-9-1-3-10(22)4-2-9)16-12(20-15)7-14(23-16)11-5-6-18-21-11/h5-10,22H,1-4H2,(H,18,21)(H3,17,19,20)
InChIKeyDOMFPRJAIHMJOV-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.98
Rot. Bonds3

About 4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol

4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol (PubChem CID 154684786) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol
PubChem CID154684786
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol
SMILESNc1cc(NC2CCC(O)CC2)c2sc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H19N5OS/c17-15-8-13(19-9-1-3-10(22)4-2-9)16-12(20-15)7-14(23-16)11-5-6-18-21-11/h5-10,22H,1-4H2,(H,18,21)(H3,17,19,20)
InChIKeyDOMFPRJAIHMJOV-UHFFFAOYSA-N
XLogP2.98
TPSA99.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

CID 134607181
CID 134607181
CID 135128157
CID 135128157
CID 135128165
CID 135128165
CID 135128170
CID 135128170
CID 135128174
CID 135128174
CID 135128175
CID 135128175
CID 135128205
CID 135128205
CID 135128232
CID 135128232
CID 135128238
CID 135128238
CID 135128240
CID 135128240
CID 135128263
CID 135128263
CID 156905916
CID 156905916

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol (CID 154684786) is 4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol is Nc1cc(NC2CCC(O)CC2)c2sc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol?
The InChIKey is DOMFPRJAIHMJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c17-15-8-13(19-9-1-3-10(22)4-2-9)16-12(20-15)7-14(23-16)11-5-6-18-21-11/h5-10,22H,1-4H2,(H,18,21)(H3,17,19,20).
What are the key properties of 4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol?
4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol has a molecular weight of 329.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 154684786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).