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

C32H36FN11O — CID 118140393

IUPAC3-[(3R)-3-[[5-fluoro-2-pyrazolo[1,5-a]pyridin-3-yl-6-[4-(2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESN#CCC(=O)N1CCC[C@@H](Nc2nc(-c3cnn4ccccc34)nc(N3CCN(c4ccnc(N5CCCC5)c4)CC3)c2F)C1
InChIInChI=1S/C32H36FN11O/c33-29-31(37-23-6-5-14-43(22-23)28(45)8-10-34)38-30(25-21-36-44-15-2-1-7-26(25)44)39-32(29)42-18-16-40(17-19-42)24-9-11-35-27(20-24)41-12-3-4-13-41/h1-2,7,9,11,15,20-21,23H,3-6,8,12-14,16-19,22H2,(H,37,38,39)/t23-/m1/s1
InChIKeyUXRWMRVWQLNKGG-HSZRJFAPSA-N
MW609.71 g/mol
LogP3.57
Rot. Bonds7

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

3-[(3R)-3-[[5-fluoro-2-pyrazolo[1,5-a]pyridin-3-yl-6-[4-(2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (PubChem CID 118140393) has the molecular formula C32H36FN11O and a molecular weight of 609.71 g/mol. Its IUPAC name is 3-[(3R)-3-[[5-fluoro-2-pyrazolo[1,5-a]pyridin-3-yl-6-[4-(2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[(3R)-3-[[5-fluoro-2-pyrazolo[1,5-a]pyridin-3-yl-6-[4-(2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
PubChem CID118140393
Molecular FormulaC32H36FN11O
Molecular Weight609.71 g/mol
Exact Mass609.31
IUPAC Name3-[(3R)-3-[[5-fluoro-2-pyrazolo[1,5-a]pyridin-3-yl-6-[4-(2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESN#CCC(=O)N1CCC[C@@H](Nc2nc(-c3cnn4ccccc34)nc(N3CCN(c4ccnc(N5CCCC5)c4)CC3)c2F)C1
InChIInChI=1S/C32H36FN11O/c33-29-31(37-23-6-5-14-43(22-23)28(45)8-10-34)38-30(25-21-36-44-15-2-1-7-26(25)44)39-32(29)42-18-16-40(17-19-42)24-9-11-35-27(20-24)41-12-3-4-13-41/h1-2,7,9,11,15,20-21,23H,3-6,8,12-14,16-19,22H2,(H,37,38,39)/t23-/m1/s1
InChIKeyUXRWMRVWQLNKGG-HSZRJFAPSA-N
XLogP3.57
TPSA121.82 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.71
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3-[(3R)-3-[[5-fluoro-2-pyrazolo[1,5-a]pyridin-3-yl-6-[4-(2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile 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 3-[(3R)-3-[[5-fluoro-2-pyrazolo[1,5-a]pyridin-3-yl-6-[4-(2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The IUPAC name of 3-[(3R)-3-[[5-fluoro-2-pyrazolo[1,5-a]pyridin-3-yl-6-[4-(2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (CID 118140393) is 3-[(3R)-3-[[5-fluoro-2-pyrazolo[1,5-a]pyridin-3-yl-6-[4-(2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.
What is the SMILES notation for 3-[(3R)-3-[[5-fluoro-2-pyrazolo[1,5-a]pyridin-3-yl-6-[4-(2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The canonical SMILES for 3-[(3R)-3-[[5-fluoro-2-pyrazolo[1,5-a]pyridin-3-yl-6-[4-(2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is N#CCC(=O)N1CCC[C@@H](Nc2nc(-c3cnn4ccccc34)nc(N3CCN(c4ccnc(N5CCCC5)c4)CC3)c2F)C1.
What is the InChIKey of 3-[(3R)-3-[[5-fluoro-2-pyrazolo[1,5-a]pyridin-3-yl-6-[4-(2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The InChIKey is UXRWMRVWQLNKGG-HSZRJFAPSA-N. The full InChI is InChI=1S/C32H36FN11O/c33-29-31(37-23-6-5-14-43(22-23)28(45)8-10-34)38-30(25-21-36-44-15-2-1-7-26(25)44)39-32(29)42-18-16-40(17-19-42)24-9-11-35-27(20-24)41-12-3-4-13-41/h1-2,7,9,11,15,20-21,23H,3-6,8,12-14,16-19,22H2,(H,37,38,39)/t23-/m1/s1.
What are the key properties of 3-[(3R)-3-[[5-fluoro-2-pyrazolo[1,5-a]pyridin-3-yl-6-[4-(2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
3-[(3R)-3-[[5-fluoro-2-pyrazolo[1,5-a]pyridin-3-yl-6-[4-(2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile has a molecular weight of 609.71 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[[5-fluoro-2-pyrazolo[1,5-a]pyridin-3-yl-6-[4-(2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 118140393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).