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

C26H21FN8S — CID 137056571

IUPAC4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1c(-c2cncc(CN3CCCC3)c2)cnc2n[nH]c(-c3nc4nccc(-c5ccsc5)c4[nH]3)c12
InChIInChI=1S/C26H21FN8S/c27-21-19(17-9-15(10-28-11-17)13-35-6-1-2-7-35)12-30-24-20(21)23(33-34-24)26-31-22-18(16-4-8-36-14-16)3-5-29-25(22)32-26/h3-5,8-12,14H,1-2,6-7,13H2,(H,29,31,32)(H,30,33,34)
InChIKeyKSLBSNIFEIBDOU-UHFFFAOYSA-N
MW496.58 g/mol
LogP5.42
Rot. Bonds5

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

4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137056571) has the molecular formula C26H21FN8S and a molecular weight of 496.58 g/mol. Its IUPAC name is 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137056571
Molecular FormulaC26H21FN8S
Molecular Weight496.58 g/mol
Exact Mass496.16
IUPAC Name4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1c(-c2cncc(CN3CCCC3)c2)cnc2n[nH]c(-c3nc4nccc(-c5ccsc5)c4[nH]3)c12
InChIInChI=1S/C26H21FN8S/c27-21-19(17-9-15(10-28-11-17)13-35-6-1-2-7-35)12-30-24-20(21)23(33-34-24)26-31-22-18(16-4-8-36-14-16)3-5-29-25(22)32-26/h3-5,8-12,14H,1-2,6-7,13H2,(H,29,31,32)(H,30,33,34)
InChIKeyKSLBSNIFEIBDOU-UHFFFAOYSA-N
XLogP5.42
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.58
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-((5-(3-(5-fluoro-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
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Ipivivint
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2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyridine
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6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
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5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 129051788
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
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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
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US9096589, 8-Methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67257821
US8927738, 5,8-Dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
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5-(2-Fluorophenyl)sulfanyl-2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-4-amine
CID 118032891

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 137056571) is 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is Fc1c(-c2cncc(CN3CCCC3)c2)cnc2n[nH]c(-c3nc4nccc(-c5ccsc5)c4[nH]3)c12.
What is the InChIKey of 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is KSLBSNIFEIBDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN8S/c27-21-19(17-9-15(10-28-11-17)13-35-6-1-2-7-35)12-30-24-20(21)23(33-34-24)26-31-22-18(16-4-8-36-14-16)3-5-29-25(22)32-26/h3-5,8-12,14H,1-2,6-7,13H2,(H,29,31,32)(H,30,33,34).
What are the key properties of 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 496.58 g/mol, XLogP of 5.42, 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-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137056571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).