propan-2-yl N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate

C28H32N8O3 — CID 134435550

IUPACpropan-2-yl N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
SMILESCC(C)OC(=O)NC1(C)CCN(c2ccc(-c3cc(OCCn4ccnc4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C28H32N8O3/c1-20(2)39-27(37)33-28(3)6-9-35(10-7-28)25-5-4-21(16-31-25)24-14-23(38-13-12-34-11-8-30-19-34)18-36-26(24)22(15-29)17-32-36/h4-5,8,11,14,16-20H,6-7,9-10,12-13H2,1-3H3,(H,33,37)
InChIKeyZKYVVEZRLUMMIE-UHFFFAOYSA-N
MW528.62 g/mol
LogP4.04
Rot. Bonds8

About propan-2-yl N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate

propan-2-yl N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate (PubChem CID 134435550) has the molecular formula C28H32N8O3 and a molecular weight of 528.62 g/mol. Its IUPAC name is propan-2-yl N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
PubChem CID134435550
Molecular FormulaC28H32N8O3
Molecular Weight528.62 g/mol
Exact Mass528.26
IUPAC Namepropan-2-yl N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
SMILESCC(C)OC(=O)NC1(C)CCN(c2ccc(-c3cc(OCCn4ccnc4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C28H32N8O3/c1-20(2)39-27(37)33-28(3)6-9-35(10-7-28)25-5-4-21(16-31-25)24-14-23(38-13-12-34-11-8-30-19-34)18-36-26(24)22(15-29)17-32-36/h4-5,8,11,14,16-20H,6-7,9-10,12-13H2,1-3H3,(H,33,37)
InChIKeyZKYVVEZRLUMMIE-UHFFFAOYSA-N
XLogP4.04
TPSA122.60 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.62
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze propan-2-yl N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate 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 propan-2-yl N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate (CID 134435550) is propan-2-yl N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate is CC(C)OC(=O)NC1(C)CCN(c2ccc(-c3cc(OCCn4ccnc4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of propan-2-yl N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate?
The InChIKey is ZKYVVEZRLUMMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O3/c1-20(2)39-27(37)33-28(3)6-9-35(10-7-28)25-5-4-21(16-31-25)24-14-23(38-13-12-34-11-8-30-19-34)18-36-26(24)22(15-29)17-32-36/h4-5,8,11,14,16-20H,6-7,9-10,12-13H2,1-3H3,(H,33,37).
What are the key properties of propan-2-yl N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate?
propan-2-yl N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate has a molecular weight of 528.62 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 134435550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).