1-[6-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-2-pyridinyl]-3-(2-methylpropyl)piperidine-4-carbonitrile

C21H25FN6 — CID 123461768

IUPAC1-[6-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-2-pyridinyl]-3-(2-methylpropyl)piperidine-4-carbonitrile
SMILESCC(C)CC1CN(c2ccc(F)c(C3NNc4ncccc43)n2)CCC1C#N
InChIInChI=1S/C21H25FN6/c1-13(2)10-15-12-28(9-7-14(15)11-23)18-6-5-17(22)20(25-18)19-16-4-3-8-24-21(16)27-26-19/h3-6,8,13-15,19,26H,7,9-10,12H2,1-2H3,(H,24,27)
InChIKeyNTWYPPAMQNAVJS-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.65
Rot. Bonds4

About 1-[6-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-2-pyridinyl]-3-(2-methylpropyl)piperidine-4-carbonitrile

1-[6-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-2-pyridinyl]-3-(2-methylpropyl)piperidine-4-carbonitrile (PubChem CID 123461768) has the molecular formula C21H25FN6 and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[6-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-2-pyridinyl]-3-(2-methylpropyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[6-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-2-pyridinyl]-3-(2-methylpropyl)piperidine-4-carbonitrile
PubChem CID123461768
Molecular FormulaC21H25FN6
Molecular Weight380.47 g/mol
Exact Mass380.21
IUPAC Name1-[6-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-2-pyridinyl]-3-(2-methylpropyl)piperidine-4-carbonitrile
SMILESCC(C)CC1CN(c2ccc(F)c(C3NNc4ncccc43)n2)CCC1C#N
InChIInChI=1S/C21H25FN6/c1-13(2)10-15-12-28(9-7-14(15)11-23)18-6-5-17(22)20(25-18)19-16-4-3-8-24-21(16)27-26-19/h3-6,8,13-15,19,26H,7,9-10,12H2,1-2H3,(H,24,27)
InChIKeyNTWYPPAMQNAVJS-UHFFFAOYSA-N
XLogP3.65
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-2-pyridinyl]-3-(2-methylpropyl)piperidine-4-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 1-[6-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-2-pyridinyl]-3-(2-methylpropyl)piperidine-4-carbonitrile?
The IUPAC name of 1-[6-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-2-pyridinyl]-3-(2-methylpropyl)piperidine-4-carbonitrile (CID 123461768) is 1-[6-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-2-pyridinyl]-3-(2-methylpropyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-[6-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-2-pyridinyl]-3-(2-methylpropyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-[6-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-2-pyridinyl]-3-(2-methylpropyl)piperidine-4-carbonitrile is CC(C)CC1CN(c2ccc(F)c(C3NNc4ncccc43)n2)CCC1C#N.
What is the InChIKey of 1-[6-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-2-pyridinyl]-3-(2-methylpropyl)piperidine-4-carbonitrile?
The InChIKey is NTWYPPAMQNAVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6/c1-13(2)10-15-12-28(9-7-14(15)11-23)18-6-5-17(22)20(25-18)19-16-4-3-8-24-21(16)27-26-19/h3-6,8,13-15,19,26H,7,9-10,12H2,1-2H3,(H,24,27).
What are the key properties of 1-[6-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-2-pyridinyl]-3-(2-methylpropyl)piperidine-4-carbonitrile?
1-[6-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-2-pyridinyl]-3-(2-methylpropyl)piperidine-4-carbonitrile has a molecular weight of 380.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-2-pyridinyl]-3-(2-methylpropyl)piperidine-4-carbonitrile is sourced from PubChem (CID 123461768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).