5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol

C29H26FN7O — CID 137034296

IUPAC5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESCN(C)CCNc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1
InChIInChI=1S/C29H26FN7O/c1-37(2)8-7-32-21-10-18(9-20(30)13-21)28-24-14-27(34-25(24)5-6-33-28)29-23-12-17(3-4-26(23)35-36-29)19-11-22(38)16-31-15-19/h3-6,9-16,32,34,38H,7-8H2,1-2H3,(H,35,36)
InChIKeySQENTLVULMVKMY-UHFFFAOYSA-N
MW507.57 g/mol
LogP5.65
Rot. Bonds7

About 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol

5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol (PubChem CID 137034296) has the molecular formula C29H26FN7O and a molecular weight of 507.57 g/mol. Its IUPAC name is 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
PubChem CID137034296
Molecular FormulaC29H26FN7O
Molecular Weight507.57 g/mol
Exact Mass507.22
IUPAC Name5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESCN(C)CCNc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1
InChIInChI=1S/C29H26FN7O/c1-37(2)8-7-32-21-10-18(9-20(30)13-21)28-24-14-27(34-25(24)5-6-33-28)29-23-12-17(3-4-26(23)35-36-29)19-11-22(38)16-31-15-19/h3-6,9-16,32,34,38H,7-8H2,1-2H3,(H,35,36)
InChIKeySQENTLVULMVKMY-UHFFFAOYSA-N
XLogP5.65
TPSA105.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.57
LogP ≤ 55.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol (CID 137034296) is 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol is CN(C)CCNc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1.
What is the InChIKey of 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The InChIKey is SQENTLVULMVKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN7O/c1-37(2)8-7-32-21-10-18(9-20(30)13-21)28-24-14-27(34-25(24)5-6-33-28)29-23-12-17(3-4-26(23)35-36-29)19-11-22(38)16-31-15-19/h3-6,9-16,32,34,38H,7-8H2,1-2H3,(H,35,36).
What are the key properties of 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol has a molecular weight of 507.57 g/mol, XLogP of 5.65, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 137034296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).