2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine

C23H16N6S — CID 137019247

IUPAC2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5ccsc5)nccc4[nH]3)c2c1
InChIInChI=1S/C23H16N6S/c1-13-4-7-24-11-17(13)14-2-3-18-16(10-14)21(29-28-18)23-26-19-5-8-25-20(22(19)27-23)15-6-9-30-12-15/h2-12H,1H3,(H,26,27)(H,28,29)
InChIKeyREBPTRGIAWUBRY-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.60
Rot. Bonds3

About 2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine

2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 137019247) has the molecular formula C23H16N6S and a molecular weight of 408.49 g/mol. Its IUPAC name is 2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
PubChem CID137019247
Molecular FormulaC23H16N6S
Molecular Weight408.49 g/mol
Exact Mass408.12
IUPAC Name2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5ccsc5)nccc4[nH]3)c2c1
InChIInChI=1S/C23H16N6S/c1-13-4-7-24-11-17(13)14-2-3-18-16(10-14)21(29-28-18)23-26-19-5-8-25-20(22(19)27-23)15-6-9-30-12-15/h2-12H,1H3,(H,26,27)(H,28,29)
InChIKeyREBPTRGIAWUBRY-UHFFFAOYSA-N
XLogP5.60
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine (CID 137019247) is 2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine is Cc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5ccsc5)nccc4[nH]3)c2c1.
What is the InChIKey of 2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?
The InChIKey is REBPTRGIAWUBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6S/c1-13-4-7-24-11-17(13)14-2-3-18-16(10-14)21(29-28-18)23-26-19-5-8-25-20(22(19)27-23)15-6-9-30-12-15/h2-12H,1H3,(H,26,27)(H,28,29).
What are the key properties of 2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?
2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 408.49 g/mol, XLogP of 5.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137019247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).