1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxy-2-[4-(1-methyl-5-phenylpyrazol-4-yl)piperazin-1-yl]ethanone

C25H24FN9O2 — CID 154557485

IUPAC1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxy-2-[4-(1-methyl-5-phenylpyrazol-4-yl)piperazin-1-yl]ethanone
SMILESCn1ncc(N2CCN(C(O)C(=O)c3c[nH]c4c(-n5ccnn5)ncc(F)c34)CC2)c1-c1ccccc1
InChIInChI=1S/C25H24FN9O2/c1-32-22(16-5-3-2-4-6-16)19(15-30-32)33-9-11-34(12-10-33)25(37)23(36)17-13-27-21-20(17)18(26)14-28-24(21)35-8-7-29-31-35/h2-8,13-15,25,27,37H,9-12H2,1H3
InChIKeyKUZCWHUVYUUWDJ-UHFFFAOYSA-N
MW501.53 g/mol
LogP2.01
Rot. Bonds6

About 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxy-2-[4-(1-methyl-5-phenylpyrazol-4-yl)piperazin-1-yl]ethanone

1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxy-2-[4-(1-methyl-5-phenylpyrazol-4-yl)piperazin-1-yl]ethanone (PubChem CID 154557485) has the molecular formula C25H24FN9O2 and a molecular weight of 501.53 g/mol. Its IUPAC name is 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxy-2-[4-(1-methyl-5-phenylpyrazol-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxy-2-[4-(1-methyl-5-phenylpyrazol-4-yl)piperazin-1-yl]ethanone
PubChem CID154557485
Molecular FormulaC25H24FN9O2
Molecular Weight501.53 g/mol
Exact Mass501.20
IUPAC Name1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxy-2-[4-(1-methyl-5-phenylpyrazol-4-yl)piperazin-1-yl]ethanone
SMILESCn1ncc(N2CCN(C(O)C(=O)c3c[nH]c4c(-n5ccnn5)ncc(F)c34)CC2)c1-c1ccccc1
InChIInChI=1S/C25H24FN9O2/c1-32-22(16-5-3-2-4-6-16)19(15-30-32)33-9-11-34(12-10-33)25(37)23(36)17-13-27-21-20(17)18(26)14-28-24(21)35-8-7-29-31-35/h2-8,13-15,25,27,37H,9-12H2,1H3
InChIKeyKUZCWHUVYUUWDJ-UHFFFAOYSA-N
XLogP2.01
TPSA120.99 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.53
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxy-2-[4-(1-methyl-5-phenylpyrazol-4-yl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxy-2-[4-(1-methyl-5-phenylpyrazol-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxy-2-[4-(1-methyl-5-phenylpyrazol-4-yl)piperazin-1-yl]ethanone (CID 154557485) is 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxy-2-[4-(1-methyl-5-phenylpyrazol-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxy-2-[4-(1-methyl-5-phenylpyrazol-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxy-2-[4-(1-methyl-5-phenylpyrazol-4-yl)piperazin-1-yl]ethanone is Cn1ncc(N2CCN(C(O)C(=O)c3c[nH]c4c(-n5ccnn5)ncc(F)c34)CC2)c1-c1ccccc1.
What is the InChIKey of 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxy-2-[4-(1-methyl-5-phenylpyrazol-4-yl)piperazin-1-yl]ethanone?
The InChIKey is KUZCWHUVYUUWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN9O2/c1-32-22(16-5-3-2-4-6-16)19(15-30-32)33-9-11-34(12-10-33)25(37)23(36)17-13-27-21-20(17)18(26)14-28-24(21)35-8-7-29-31-35/h2-8,13-15,25,27,37H,9-12H2,1H3.
What are the key properties of 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxy-2-[4-(1-methyl-5-phenylpyrazol-4-yl)piperazin-1-yl]ethanone?
1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxy-2-[4-(1-methyl-5-phenylpyrazol-4-yl)piperazin-1-yl]ethanone has a molecular weight of 501.53 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxy-2-[4-(1-methyl-5-phenylpyrazol-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 154557485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).