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

C26H22N8OS — CID 137056913

IUPAC2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
SMILESc1cc(-c2ccsc2)c2[nH]c(-c3[nH]nc4ncc(-c5cncc(OC6CCNCC6)c5)cc34)nc2n1
InChIInChI=1S/C26H22N8OS/c1-5-27-6-2-18(1)35-19-9-16(11-28-13-19)17-10-21-23(33-34-24(21)30-12-17)26-31-22-20(15-4-8-36-14-15)3-7-29-25(22)32-26/h3-4,7-14,18,27H,1-2,5-6H2,(H,29,31,32)(H,30,33,34)
InChIKeyCEVHTFHXHMNYKS-UHFFFAOYSA-N
MW494.58 g/mol
LogP4.82
Rot. Bonds5

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

2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 137056913) has the molecular formula C26H22N8OS and a molecular weight of 494.58 g/mol. Its IUPAC name is 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
PubChem CID137056913
Molecular FormulaC26H22N8OS
Molecular Weight494.58 g/mol
Exact Mass494.16
IUPAC Name2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
SMILESc1cc(-c2ccsc2)c2[nH]c(-c3[nH]nc4ncc(-c5cncc(OC6CCNCC6)c5)cc34)nc2n1
InChIInChI=1S/C26H22N8OS/c1-5-27-6-2-18(1)35-19-9-16(11-28-13-19)17-10-21-23(33-34-24(21)30-12-17)26-31-22-20(15-4-8-36-14-15)3-7-29-25(22)32-26/h3-4,7-14,18,27H,1-2,5-6H2,(H,29,31,32)(H,30,33,34)
InChIKeyCEVHTFHXHMNYKS-UHFFFAOYSA-N
XLogP4.82
TPSA117.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (CID 137056913) is 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine is c1cc(-c2ccsc2)c2[nH]c(-c3[nH]nc4ncc(-c5cncc(OC6CCNCC6)c5)cc34)nc2n1.
What is the InChIKey of 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is CEVHTFHXHMNYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8OS/c1-5-27-6-2-18(1)35-19-9-16(11-28-13-19)17-10-21-23(33-34-24(21)30-12-17)26-31-22-20(15-4-8-36-14-15)3-7-29-25(22)32-26/h3-4,7-14,18,27H,1-2,5-6H2,(H,29,31,32)(H,30,33,34).
What are the key properties of 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 494.58 g/mol, XLogP of 4.82, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137056913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).