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

C21H19N7S — CID 137056912

IUPAC2-(5-piperidin-4-yl-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(C5CCNCC5)cc34)nc2n1
InChIInChI=1S/C21H19N7S/c1-5-22-6-2-12(1)14-9-16-18(27-28-19(16)24-10-14)21-25-17-15(13-4-8-29-11-13)3-7-23-20(17)26-21/h3-4,7-12,22H,1-2,5-6H2,(H,23,25,26)(H,24,27,28)
InChIKeyPTDBDWDHVHRVDH-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.09
Rot. Bonds3

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

2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 137056912) has the molecular formula C21H19N7S and a molecular weight of 401.50 g/mol. Its IUPAC name is 2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
PubChem CID137056912
Molecular FormulaC21H19N7S
Molecular Weight401.50 g/mol
Exact Mass401.14
IUPAC Name2-(5-piperidin-4-yl-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(C5CCNCC5)cc34)nc2n1
InChIInChI=1S/C21H19N7S/c1-5-22-6-2-12(1)14-9-16-18(27-28-19(16)24-10-14)21-25-17-15(13-4-8-29-11-13)3-7-23-20(17)26-21/h3-4,7-12,22H,1-2,5-6H2,(H,23,25,26)(H,24,27,28)
InChIKeyPTDBDWDHVHRVDH-UHFFFAOYSA-N
XLogP4.09
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 137056920
1-[5-[2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone
CID 137056989
N-[[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137056133
3,3-dimethyl-N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137056166
3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 137056035
2-(5-piperidin-4-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
CID 136937956
2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 137056954
2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 145035022
3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137054944
2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 136937438
3-fluoro-5-[2-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenol
CID 137057177
N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145035753

Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (CID 137056912) is 2-(5-piperidin-4-yl-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-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-piperidin-4-yl-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(C5CCNCC5)cc34)nc2n1.
What is the InChIKey of 2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is PTDBDWDHVHRVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7S/c1-5-22-6-2-12(1)14-9-16-18(27-28-19(16)24-10-14)21-25-17-15(13-4-8-29-11-13)3-7-23-20(17)26-21/h3-4,7-12,22H,1-2,5-6H2,(H,23,25,26)(H,24,27,28).
What are the key properties of 2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 401.50 g/mol, XLogP of 4.09, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137056912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).