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

C26H21FN8S — CID 137056612

IUPAC4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1c(-c2cncc(CN3CCCC3)c2)cnc2n[nH]c(-c3nc4nccc(-c5cccs5)c4[nH]3)c12
InChIInChI=1S/C26H21FN8S/c27-21-18(16-10-15(11-28-12-16)14-35-7-1-2-8-35)13-30-24-20(21)23(33-34-24)26-31-22-17(19-4-3-9-36-19)5-6-29-25(22)32-26/h3-6,9-13H,1-2,7-8,14H2,(H,29,31,32)(H,30,33,34)
InChIKeyQANPCDLKKOEGRB-UHFFFAOYSA-N
MW496.58 g/mol
LogP5.42
Rot. Bonds5

About 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-2-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-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137056612) 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-2-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-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137056612
Molecular FormulaC26H21FN8S
Molecular Weight496.58 g/mol
Exact Mass496.16
IUPAC Name4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1c(-c2cncc(CN3CCCC3)c2)cnc2n[nH]c(-c3nc4nccc(-c5cccs5)c4[nH]3)c12
InChIInChI=1S/C26H21FN8S/c27-21-18(16-10-15(11-28-12-16)14-35-7-1-2-8-35)13-30-24-20(21)23(33-34-24)26-31-22-17(19-4-3-9-36-19)5-6-29-25(22)32-26/h3-6,9-13H,1-2,7-8,14H2,(H,29,31,32)(H,30,33,34)
InChIKeyQANPCDLKKOEGRB-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-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-2-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-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 137056612) is 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-2-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-2-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-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is Fc1c(-c2cncc(CN3CCCC3)c2)cnc2n[nH]c(-c3nc4nccc(-c5cccs5)c4[nH]3)c12.
What is the InChIKey of 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is QANPCDLKKOEGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN8S/c27-21-18(16-10-15(11-28-12-16)14-35-7-1-2-8-35)13-30-24-20(21)23(33-34-24)26-31-22-17(19-4-3-9-36-19)5-6-29-25(22)32-26/h3-6,9-13H,1-2,7-8,14H2,(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-2-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-2-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-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137056612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).