[1-methyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol

C21H16N8OS — CID 137042447

IUPAC[1-methyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol
SMILESCn1cc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccs6)c5[nH]4)c3n2)c(CO)n1
InChIInChI=1S/C21H16N8OS/c1-29-9-12(15(10-30)28-29)13-4-5-14-18(23-13)19(27-26-14)21-24-17-11(16-3-2-8-31-16)6-7-22-20(17)25-21/h2-9,30H,10H2,1H3,(H,26,27)(H,22,24,25)
InChIKeyATUGXIQPIIQRDJ-UHFFFAOYSA-N
MW428.48 g/mol
LogP3.52
Rot. Bonds4

About [1-methyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol

[1-methyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol (PubChem CID 137042447) has the molecular formula C21H16N8OS and a molecular weight of 428.48 g/mol. Its IUPAC name is [1-methyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-methyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol
PubChem CID137042447
Molecular FormulaC21H16N8OS
Molecular Weight428.48 g/mol
Exact Mass428.12
IUPAC Name[1-methyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol
SMILESCn1cc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccs6)c5[nH]4)c3n2)c(CO)n1
InChIInChI=1S/C21H16N8OS/c1-29-9-12(15(10-30)28-29)13-4-5-14-18(23-13)19(27-26-14)21-24-17-11(16-3-2-8-31-16)6-7-22-20(17)25-21/h2-9,30H,10H2,1H3,(H,26,27)(H,22,24,25)
InChIKeyATUGXIQPIIQRDJ-UHFFFAOYSA-N
XLogP3.52
TPSA121.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [1-methyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol?
The IUPAC name of [1-methyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol (CID 137042447) is [1-methyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol.
What is the SMILES notation for [1-methyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol?
The canonical SMILES for [1-methyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol is Cn1cc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccs6)c5[nH]4)c3n2)c(CO)n1.
What is the InChIKey of [1-methyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol?
The InChIKey is ATUGXIQPIIQRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N8OS/c1-29-9-12(15(10-30)28-29)13-4-5-14-18(23-13)19(27-26-14)21-24-17-11(16-3-2-8-31-16)6-7-22-20(17)25-21/h2-9,30H,10H2,1H3,(H,26,27)(H,22,24,25).
What are the key properties of [1-methyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol?
[1-methyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol has a molecular weight of 428.48 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol is sourced from PubChem (CID 137042447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).