tert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate

C22H33N5O2 — CID 164633201

IUPACtert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate
SMILESCc1c(N[C@@H](CC2CCN(C(=O)OC(C)(C)C)CC2)c2cccnc2)cnn1C
InChIInChI=1S/C22H33N5O2/c1-16-20(15-24-26(16)5)25-19(18-7-6-10-23-14-18)13-17-8-11-27(12-9-17)21(28)29-22(2,3)4/h6-7,10,14-15,17,19,25H,8-9,11-13H2,1-5H3/t19-/m0/s1
InChIKeyDZCPSNKUQUMRPI-IBGZPJMESA-N
MW399.54 g/mol
LogP4.31
Rot. Bonds5

About tert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate

tert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate (PubChem CID 164633201) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate
PubChem CID164633201
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Nametert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate
SMILESCc1c(N[C@@H](CC2CCN(C(=O)OC(C)(C)C)CC2)c2cccnc2)cnn1C
InChIInChI=1S/C22H33N5O2/c1-16-20(15-24-26(16)5)25-19(18-7-6-10-23-14-18)13-17-8-11-27(12-9-17)21(28)29-22(2,3)4/h6-7,10,14-15,17,19,25H,8-9,11-13H2,1-5H3/t19-/m0/s1
InChIKeyDZCPSNKUQUMRPI-IBGZPJMESA-N
XLogP4.31
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate 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 tert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate (CID 164633201) is tert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate is Cc1c(N[C@@H](CC2CCN(C(=O)OC(C)(C)C)CC2)c2cccnc2)cnn1C.
What is the InChIKey of tert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate?
The InChIKey is DZCPSNKUQUMRPI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H33N5O2/c1-16-20(15-24-26(16)5)25-19(18-7-6-10-23-14-18)13-17-8-11-27(12-9-17)21(28)29-22(2,3)4/h6-7,10,14-15,17,19,25H,8-9,11-13H2,1-5H3/t19-/m0/s1.
What are the key properties of tert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate?
tert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate has a molecular weight of 399.54 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate is sourced from PubChem (CID 164633201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).