N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine

C16H13N5S — CID 71871472

IUPACN-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine
SMILESc1cn(-c2ccc(CNc3ccnc4ccsc34)cn2)cn1
InChIInChI=1S/C16H13N5S/c1-2-15(21-7-6-17-11-21)20-10-12(1)9-19-13-3-5-18-14-4-8-22-16(13)14/h1-8,10-11H,9H2,(H,18,19)
InChIKeyKDZRTEMVZACFOA-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.49
Rot. Bonds4

About N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine

N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine (PubChem CID 71871472) has the molecular formula C16H13N5S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine
PubChem CID71871472
Molecular FormulaC16H13N5S
Molecular Weight307.38 g/mol
Exact Mass307.09
IUPAC NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine
SMILESc1cn(-c2ccc(CNc3ccnc4ccsc34)cn2)cn1
InChIInChI=1S/C16H13N5S/c1-2-15(21-7-6-17-11-21)20-10-12(1)9-19-13-3-5-18-14-4-8-22-16(13)14/h1-8,10-11H,9H2,(H,18,19)
InChIKeyKDZRTEMVZACFOA-UHFFFAOYSA-N
XLogP3.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine?
The IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine (CID 71871472) is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine is c1cn(-c2ccc(CNc3ccnc4ccsc34)cn2)cn1.
What is the InChIKey of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine?
The InChIKey is KDZRTEMVZACFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S/c1-2-15(21-7-6-17-11-21)20-10-12(1)9-19-13-3-5-18-14-4-8-22-16(13)14/h1-8,10-11H,9H2,(H,18,19).
What are the key properties of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine?
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine has a molecular weight of 307.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 71871472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).