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

C23H16FN7 — CID 137039107

IUPAC3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESCn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)ccnc5[nH]4)c3n2)cn1
InChIInChI=1S/C23H16FN7/c1-31-12-13(11-26-31)18-6-7-19-21(27-18)22(30-29-19)20-10-16-14(8-9-25-23(16)28-20)15-4-2-3-5-17(15)24/h2-12H,1H3,(H,25,28)(H,29,30)
InChIKeyOJZIMOHWFXMRRE-UHFFFAOYSA-N
MW409.43 g/mol
LogP4.71
Rot. Bonds3

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

3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137039107) has the molecular formula C23H16FN7 and a molecular weight of 409.43 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
PubChem CID137039107
Molecular FormulaC23H16FN7
Molecular Weight409.43 g/mol
Exact Mass409.15
IUPAC Name3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESCn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)ccnc5[nH]4)c3n2)cn1
InChIInChI=1S/C23H16FN7/c1-31-12-13(11-26-31)18-6-7-19-21(27-18)22(30-29-19)20-10-16-14(8-9-25-23(16)28-20)15-4-2-3-5-17(15)24/h2-12H,1H3,(H,25,28)(H,29,30)
InChIKeyOJZIMOHWFXMRRE-UHFFFAOYSA-N
XLogP4.71
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine with MolForge

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Related Compounds

5-(1-methylpyrazol-4-yl)-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137038501
N-[[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137038597
N-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137038262
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137488821
3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137111285
3-(2-fluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71254121
3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
CID 137040019
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole
CID 145254195
5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137039036
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole
CID 137112165
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole
CID 137283027
4-(2-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936775

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine (CID 137039107) is 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine is Cn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)ccnc5[nH]4)c3n2)cn1.
What is the InChIKey of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is OJZIMOHWFXMRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN7/c1-31-12-13(11-26-31)18-6-7-19-21(27-18)22(30-29-19)20-10-16-14(8-9-25-23(16)28-20)15-4-2-3-5-17(15)24/h2-12H,1H3,(H,25,28)(H,29,30).
What are the key properties of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine?
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 409.43 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137039107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).