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

C23H14FN7 — CID 137040161

IUPAC3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)nc45)cc23)cc1
InChIInChI=1S/C23H14FN7/c24-14-3-1-13(2-4-14)21-15-11-19(28-16(15)7-8-27-21)23-22-18(30-31-23)6-5-17(29-22)20-12-25-9-10-26-20/h1-12,28H,(H,30,31)
InChIKeyNIQZXLABKVSXSD-UHFFFAOYSA-N
MW407.41 g/mol
LogP4.76
Rot. Bonds3

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

3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137040161) has the molecular formula C23H14FN7 and a molecular weight of 407.41 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine
PubChem CID137040161
Molecular FormulaC23H14FN7
Molecular Weight407.41 g/mol
Exact Mass407.13
IUPAC Name3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)nc45)cc23)cc1
InChIInChI=1S/C23H14FN7/c24-14-3-1-13(2-4-14)21-15-11-19(28-16(15)7-8-27-21)23-22-18(30-31-23)6-5-17(29-22)20-12-25-9-10-26-20/h1-12,28H,(H,30,31)
InChIKeyNIQZXLABKVSXSD-UHFFFAOYSA-N
XLogP4.76
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137040202
3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
CID 137114151
3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137280399
5-pyrazin-2-yl-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137112680
3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137284101
5-pyrazin-2-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137112641
3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114763
3-[4-(3-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 145245039
5-(4-methyl-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137039008
3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137038177
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
N-[[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137039585

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine (CID 137040161) is 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine is Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)nc45)cc23)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is NIQZXLABKVSXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN7/c24-14-3-1-13(2-4-14)21-15-11-19(28-16(15)7-8-27-21)23-22-18(30-31-23)6-5-17(29-22)20-12-25-9-10-26-20/h1-12,28H,(H,30,31).
What are the key properties of 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine?
3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 407.41 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137040161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).