4-[6-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H25FN6O3 — CID 134434568

IUPAC4-[6-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC[C@H](Oc4ccc(F)cn4)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H25FN6O3/c1-26(2,34)16-35-21-9-22(25-18(10-28)12-31-33(25)15-21)17-3-5-23(29-11-17)32-8-7-20(14-32)36-24-6-4-19(27)13-30-24/h3-6,9,11-13,15,20,34H,7-8,14,16H2,1-2H3/t20-/m0/s1
InChIKeyNRUPDCHNCZDCPV-FQEVSTJZSA-N
MW488.52 g/mol
LogP3.61
Rot. Bonds7

About 4-[6-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434568) has the molecular formula C26H25FN6O3 and a molecular weight of 488.52 g/mol. Its IUPAC name is 4-[6-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434568
Molecular FormulaC26H25FN6O3
Molecular Weight488.52 g/mol
Exact Mass488.20
IUPAC Name4-[6-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC[C@H](Oc4ccc(F)cn4)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H25FN6O3/c1-26(2,34)16-35-21-9-22(25-18(10-28)12-31-33(25)15-21)17-3-5-23(29-11-17)32-8-7-20(14-32)36-24-6-4-19(27)13-30-24/h3-6,9,11-13,15,20,34H,7-8,14,16H2,1-2H3/t20-/m0/s1
InChIKeyNRUPDCHNCZDCPV-FQEVSTJZSA-N
XLogP3.61
TPSA108.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434568) is 4-[6-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(N3CC[C@H](Oc4ccc(F)cn4)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is NRUPDCHNCZDCPV-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H25FN6O3/c1-26(2,34)16-35-21-9-22(25-18(10-28)12-31-33(25)15-21)17-3-5-23(29-11-17)32-8-7-20(14-32)36-24-6-4-19(27)13-30-24/h3-6,9,11-13,15,20,34H,7-8,14,16H2,1-2H3/t20-/m0/s1.
What are the key properties of 4-[6-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 488.52 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).