4-[5-fluoro-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C27H21FN6O2 — CID 146667237

IUPAC4-[5-fluoro-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cnc(N3CCN(C(=O)C#Cc4ccccc4)CC3)c(F)c2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H21FN6O2/c1-36-22-14-23(26-21(15-29)17-31-34(26)18-22)20-13-24(28)27(30-16-20)33-11-9-32(10-12-33)25(35)8-7-19-5-3-2-4-6-19/h2-6,13-14,16-18H,9-12H2,1H3
InChIKeyDKFUSFLERSIBDN-UHFFFAOYSA-N
MW480.50 g/mol
LogP3.12
Rot. Bonds3

About 4-[5-fluoro-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-[5-fluoro-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146667237) has the molecular formula C27H21FN6O2 and a molecular weight of 480.50 g/mol. Its IUPAC name is 4-[5-fluoro-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[5-fluoro-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID146667237
Molecular FormulaC27H21FN6O2
Molecular Weight480.50 g/mol
Exact Mass480.17
IUPAC Name4-[5-fluoro-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cnc(N3CCN(C(=O)C#Cc4ccccc4)CC3)c(F)c2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H21FN6O2/c1-36-22-14-23(26-21(15-29)17-31-34(26)18-22)20-13-24(28)27(30-16-20)33-11-9-32(10-12-33)25(35)8-7-19-5-3-2-4-6-19/h2-6,13-14,16-18H,9-12H2,1H3
InChIKeyDKFUSFLERSIBDN-UHFFFAOYSA-N
XLogP3.12
TPSA86.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[5-fluoro-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile 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 4-[5-fluoro-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[5-fluoro-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146667237) is 4-[5-fluoro-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[5-fluoro-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[5-fluoro-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cc(-c2cnc(N3CCN(C(=O)C#Cc4ccccc4)CC3)c(F)c2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[5-fluoro-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is DKFUSFLERSIBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN6O2/c1-36-22-14-23(26-21(15-29)17-31-34(26)18-22)20-13-24(28)27(30-16-20)33-11-9-32(10-12-33)25(35)8-7-19-5-3-2-4-6-19/h2-6,13-14,16-18H,9-12H2,1H3.
What are the key properties of 4-[5-fluoro-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[5-fluoro-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 480.50 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146667237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).