3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine

C24H21FN6 — CID 137145128

IUPAC3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESFc1cccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(C6CCNCC6)cc45)cc23)c1
InChIInChI=1S/C24H21FN6/c25-17-3-1-2-15(10-17)22-18-12-21(29-20(18)6-9-27-22)23-19-11-16(13-28-24(19)31-30-23)14-4-7-26-8-5-14/h1-3,6,9-14,26,29H,4-5,7-8H2,(H,28,30,31)
InChIKeyYYAXZFHBIDBGOB-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.77
Rot. Bonds3

About 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine

3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137145128) has the molecular formula C24H21FN6 and a molecular weight of 412.47 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID137145128
Molecular FormulaC24H21FN6
Molecular Weight412.47 g/mol
Exact Mass412.18
IUPAC Name3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESFc1cccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(C6CCNCC6)cc45)cc23)c1
InChIInChI=1S/C24H21FN6/c25-17-3-1-2-15(10-17)22-18-12-21(29-20(18)6-9-27-22)23-19-11-16(13-28-24(19)31-30-23)14-4-7-26-8-5-14/h1-3,6,9-14,26,29H,4-5,7-8H2,(H,28,30,31)
InChIKeyYYAXZFHBIDBGOB-UHFFFAOYSA-N
XLogP4.77
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137054944
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145368
3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137102767
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145295
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137280718
1-[6-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137145354
N-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137310881
3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137040064
3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137281467
5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine
CID 137103087
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137145274
N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137310834

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine (CID 137145128) is 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine is Fc1cccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(C6CCNCC6)cc45)cc23)c1.
What is the InChIKey of 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is YYAXZFHBIDBGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6/c25-17-3-1-2-15(10-17)22-18-12-21(29-20(18)6-9-27-22)23-19-11-16(13-28-24(19)31-30-23)14-4-7-26-8-5-14/h1-3,6,9-14,26,29H,4-5,7-8H2,(H,28,30,31).
What are the key properties of 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 412.47 g/mol, XLogP of 4.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137145128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).