3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole

C26H18FN5O — CID 137086952

IUPAC3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole
SMILESCOc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)ccnc5[nH]4)c3c2)c1
InChIInChI=1S/C26H18FN5O/c1-33-17-10-16(13-28-14-17)15-6-7-23-21(11-15)25(32-31-23)24-12-20-18(8-9-29-26(20)30-24)19-4-2-3-5-22(19)27/h2-14H,1H3,(H,29,30)(H,31,32)
InChIKeyRWOOXAMIGNCHCX-UHFFFAOYSA-N
MW435.46 g/mol
LogP5.98
Rot. Bonds4

About 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole

3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole (PubChem CID 137086952) has the molecular formula C26H18FN5O and a molecular weight of 435.46 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole
PubChem CID137086952
Molecular FormulaC26H18FN5O
Molecular Weight435.46 g/mol
Exact Mass435.15
IUPAC Name3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole
SMILESCOc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)ccnc5[nH]4)c3c2)c1
InChIInChI=1S/C26H18FN5O/c1-33-17-10-16(13-28-14-17)15-6-7-23-21(11-15)25(32-31-23)24-12-20-18(8-9-29-26(20)30-24)19-4-2-3-5-22(19)27/h2-14H,1H3,(H,29,30)(H,31,32)
InChIKeyRWOOXAMIGNCHCX-UHFFFAOYSA-N
XLogP5.98
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.46
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole?
The IUPAC name of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole (CID 137086952) is 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole.
What is the SMILES notation for 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole?
The canonical SMILES for 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole is COc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)ccnc5[nH]4)c3c2)c1.
What is the InChIKey of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole?
The InChIKey is RWOOXAMIGNCHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN5O/c1-33-17-10-16(13-28-14-17)15-6-7-23-21(11-15)25(32-31-23)24-12-20-18(8-9-29-26(20)30-24)19-4-2-3-5-22(19)27/h2-14H,1H3,(H,29,30)(H,31,32).
What are the key properties of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole?
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole has a molecular weight of 435.46 g/mol, XLogP of 5.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 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-(5-methoxy-3-pyridinyl)-1H-indazole is sourced from PubChem (CID 137086952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).