2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine

C20H12N8S — CID 137110531

IUPAC2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
SMILESc1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cncc5[nH]4)c3n2)cn1
InChIInChI=1S/C20H12N8S/c1-2-15-18(24-14(1)12-5-22-10-23-6-12)19(28-27-15)20-25-16-8-21-7-13(17(16)26-20)11-3-4-29-9-11/h1-10H,(H,25,26)(H,27,28)
InChIKeyZQCVZTJPYFASIK-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.08
Rot. Bonds3

About 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine

2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine (PubChem CID 137110531) has the molecular formula C20H12N8S and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
PubChem CID137110531
Molecular FormulaC20H12N8S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC Name2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
SMILESc1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cncc5[nH]4)c3n2)cn1
InChIInChI=1S/C20H12N8S/c1-2-15-18(24-14(1)12-5-22-10-23-6-12)19(28-27-15)20-25-16-8-21-7-13(17(16)26-20)11-3-4-29-9-11/h1-10H,(H,25,26)(H,27,28)
InChIKeyZQCVZTJPYFASIK-UHFFFAOYSA-N
XLogP4.08
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 137311638
2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 137109924
5-pyridin-3-yl-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 139424393
5-pyridin-4-yl-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137110315
N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137110132
5-(5-methoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 139424512
5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137311743
5-(1-methylpyrazol-4-yl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109356
5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137112581
3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenol
CID 137110240
2-(5-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 136947287
(2Z)-2-fluoro-N-methyl-2-[5-methylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]-1-pyrimidin-5-ylethanimine
CID 137292906

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine (CID 137110531) is 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine is c1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cncc5[nH]4)c3n2)cn1.
What is the InChIKey of 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?
The InChIKey is ZQCVZTJPYFASIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N8S/c1-2-15-18(24-14(1)12-5-22-10-23-6-12)19(28-27-15)20-25-16-8-21-7-13(17(16)26-20)11-3-4-29-9-11/h1-10H,(H,25,26)(H,27,28).
What are the key properties of 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?
2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine has a molecular weight of 396.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137110531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).