3-[(3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

C25H23FN8O — CID 134587626

IUPAC3-[(3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESCc1cc(-c2nc(-c3cnn4ccccc34)nc(N[C@@H]3CCCN(C(=O)CC#N)C3)c2F)ccn1
InChIInChI=1S/C25H23FN8O/c1-16-13-17(8-10-28-16)23-22(26)25(30-18-5-4-11-33(15-18)21(35)7-9-27)32-24(31-23)19-14-29-34-12-3-2-6-20(19)34/h2-3,6,8,10,12-14,18H,4-5,7,11,15H2,1H3,(H,30,31,32)/t18-/m1/s1
InChIKeySFTBRNQQYRPRFI-GOSISDBHSA-N
MW470.51 g/mol
LogP3.62
Rot. Bonds5

About 3-[(3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

3-[(3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (PubChem CID 134587626) has the molecular formula C25H23FN8O and a molecular weight of 470.51 g/mol. Its IUPAC name is 3-[(3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[(3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
PubChem CID134587626
Molecular FormulaC25H23FN8O
Molecular Weight470.51 g/mol
Exact Mass470.20
IUPAC Name3-[(3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESCc1cc(-c2nc(-c3cnn4ccccc34)nc(N[C@@H]3CCCN(C(=O)CC#N)C3)c2F)ccn1
InChIInChI=1S/C25H23FN8O/c1-16-13-17(8-10-28-16)23-22(26)25(30-18-5-4-11-33(15-18)21(35)7-9-27)32-24(31-23)19-14-29-34-12-3-2-6-20(19)34/h2-3,6,8,10,12-14,18H,4-5,7,11,15H2,1H3,(H,30,31,32)/t18-/m1/s1
InChIKeySFTBRNQQYRPRFI-GOSISDBHSA-N
XLogP3.62
TPSA112.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The IUPAC name of 3-[(3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (CID 134587626) is 3-[(3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.
What is the SMILES notation for 3-[(3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The canonical SMILES for 3-[(3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is Cc1cc(-c2nc(-c3cnn4ccccc34)nc(N[C@@H]3CCCN(C(=O)CC#N)C3)c2F)ccn1.
What is the InChIKey of 3-[(3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The InChIKey is SFTBRNQQYRPRFI-GOSISDBHSA-N. The full InChI is InChI=1S/C25H23FN8O/c1-16-13-17(8-10-28-16)23-22(26)25(30-18-5-4-11-33(15-18)21(35)7-9-27)32-24(31-23)19-14-29-34-12-3-2-6-20(19)34/h2-3,6,8,10,12-14,18H,4-5,7,11,15H2,1H3,(H,30,31,32)/t18-/m1/s1.
What are the key properties of 3-[(3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
3-[(3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile has a molecular weight of 470.51 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 134587626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).