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

C27H23FN8S — CID 136945363

IUPAC4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1c(-c2cncc(CN3CCCCC3)c2)cnc2n[nH]c(-c3nc4c(-c5cccs5)nccc4[nH]3)c12
InChIInChI=1S/C27H23FN8S/c28-22-18(17-11-16(12-29-13-17)15-36-8-2-1-3-9-36)14-31-26-21(22)25(34-35-26)27-32-19-6-7-30-24(23(19)33-27)20-5-4-10-37-20/h4-7,10-14H,1-3,8-9,15H2,(H,32,33)(H,31,34,35)
InChIKeyJEHJNTMEEDPWBQ-UHFFFAOYSA-N
MW510.60 g/mol
LogP5.81
Rot. Bonds5

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

4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 136945363) 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-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID136945363
Molecular FormulaC27H23FN8S
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1c(-c2cncc(CN3CCCCC3)c2)cnc2n[nH]c(-c3nc4c(-c5cccs5)nccc4[nH]3)c12
InChIInChI=1S/C27H23FN8S/c28-22-18(17-11-16(12-29-13-17)15-36-8-2-1-3-9-36)14-31-26-21(22)25(34-35-26)27-32-19-6-7-30-24(23(19)33-27)20-5-4-10-37-20/h4-7,10-14H,1-3,8-9,15H2,(H,32,33)(H,31,34,35)
InChIKeyJEHJNTMEEDPWBQ-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-(4-thiophen-2-yl-1H-imidazo[4,5-c]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-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 136945363) is 4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is Fc1c(-c2cncc(CN3CCCCC3)c2)cnc2n[nH]c(-c3nc4c(-c5cccs5)nccc4[nH]3)c12.
What is the InChIKey of 4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is JEHJNTMEEDPWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN8S/c28-22-18(17-11-16(12-29-13-17)15-36-8-2-1-3-9-36)14-31-26-21(22)25(34-35-26)27-32-19-6-7-30-24(23(19)33-27)20-5-4-10-37-20/h4-7,10-14H,1-3,8-9,15H2,(H,32,33)(H,31,34,35).
What are the key properties of 4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]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-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 136945363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).