3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol

C24H17FN6O — CID 137114162

IUPAC3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
SMILESCn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)cn1
InChIInChI=1S/C24H17FN6O/c1-31-12-15(11-27-31)13-2-3-21-18(8-13)24(30-29-21)22-10-19-20(28-22)4-5-26-23(19)14-6-16(25)9-17(32)7-14/h2-12,28,32H,1H3,(H,29,30)
InChIKeyJUVNKSYTZODLSY-UHFFFAOYSA-N
MW424.44 g/mol
LogP5.02
Rot. Bonds3

About 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol

3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol (PubChem CID 137114162) has the molecular formula C24H17FN6O and a molecular weight of 424.44 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
PubChem CID137114162
Molecular FormulaC24H17FN6O
Molecular Weight424.44 g/mol
Exact Mass424.14
IUPAC Name3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
SMILESCn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)cn1
InChIInChI=1S/C24H17FN6O/c1-31-12-15(11-27-31)13-2-3-21-18(8-13)24(30-29-21)22-10-19-20(28-22)4-5-26-23(19)14-6-16(25)9-17(32)7-14/h2-12,28,32H,1H3,(H,29,30)
InChIKeyJUVNKSYTZODLSY-UHFFFAOYSA-N
XLogP5.02
TPSA95.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.44
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol (CID 137114162) is 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol is Cn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)cn1.
What is the InChIKey of 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The InChIKey is JUVNKSYTZODLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6O/c1-31-12-15(11-27-31)13-2-3-21-18(8-13)24(30-29-21)22-10-19-20(28-22)4-5-26-23(19)14-6-16(25)9-17(32)7-14/h2-12,28,32H,1H3,(H,29,30).
What are the key properties of 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol has a molecular weight of 424.44 g/mol, XLogP of 5.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol is sourced from PubChem (CID 137114162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).