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

C27H23FN8S — CID 137102180

IUPAC4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESFc1c(-c2cncc(CN3CCCCC3)c2)ncc2[nH]nc(-c3nc4nccc(-c5ccsc5)c4[nH]3)c12
InChIInChI=1S/C27H23FN8S/c28-22-21-20(13-31-23(22)18-10-16(11-29-12-18)14-36-7-2-1-3-8-36)34-35-25(21)27-32-24-19(17-5-9-37-15-17)4-6-30-26(24)33-27/h4-6,9-13,15H,1-3,7-8,14H2,(H,34,35)(H,30,32,33)
InChIKeyAJVDWQPEYKAPOH-UHFFFAOYSA-N
MW510.60 g/mol
LogP5.81
Rot. Bonds5

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

4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137102180) has the molecular formula C27H23FN8S and a molecular weight of 510.60 g/mol. Its IUPAC name is 4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID137102180
Molecular FormulaC27H23FN8S
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESFc1c(-c2cncc(CN3CCCCC3)c2)ncc2[nH]nc(-c3nc4nccc(-c5ccsc5)c4[nH]3)c12
InChIInChI=1S/C27H23FN8S/c28-22-21-20(13-31-23(22)18-10-16(11-29-12-18)14-36-7-2-1-3-8-36)34-35-25(21)27-32-24-19(17-5-9-37-15-17)4-6-30-26(24)33-27/h4-6,9-13,15H,1-3,7-8,14H2,(H,34,35)(H,30,32,33)
InChIKeyAJVDWQPEYKAPOH-UHFFFAOYSA-N
XLogP5.81
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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CID 44546167
Ipivivint
CID 136213660
5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
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7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224696
5-(3-aminopropyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224697
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-(2-(piperidin-4-yl)ethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224698
5-(4-aminobutyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
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6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 54766171
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 135497824
5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 136213594
5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 136213596
5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 136968893

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (CID 137102180) is 4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is Fc1c(-c2cncc(CN3CCCCC3)c2)ncc2[nH]nc(-c3nc4nccc(-c5ccsc5)c4[nH]3)c12.
What is the InChIKey of 4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is AJVDWQPEYKAPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN8S/c28-22-21-20(13-31-23(22)18-10-16(11-29-12-18)14-36-7-2-1-3-8-36)34-35-25(21)27-32-24-19(17-5-9-37-15-17)4-6-30-26(24)33-27/h4-6,9-13,15H,1-3,7-8,14H2,(H,34,35)(H,30,32,33).
What are the key properties of 4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 510.60 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137102180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).