tert-butyl N-[3-(3-chlorophenyl)-3-[[4-[8-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propyl]carbamate

C32H41ClN8O2 — CID 163423551

IUPACtert-butyl N-[3-(3-chlorophenyl)-3-[[4-[8-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propyl]carbamate
SMILESCCCC1CCN(c2nccn3c(-c4ccnc(NC(CCNC(=O)OC(C)(C)C)c5cccc(Cl)c5)n4)cnc23)CC1
InChIInChI=1S/C32H41ClN8O2/c1-5-7-22-12-17-40(18-13-22)28-29-37-21-27(41(29)19-16-34-28)26-11-14-35-30(39-26)38-25(23-8-6-9-24(33)20-23)10-15-36-31(42)43-32(2,3)4/h6,8-9,11,14,16,19-22,25H,5,7,10,12-13,15,17-18H2,1-4H3,(H,36,42)(H,35,38,39)
InChIKeyAKNWFALUTCNZCS-UHFFFAOYSA-N
MW605.19 g/mol
LogP6.92
Rot. Bonds10

About tert-butyl N-[3-(3-chlorophenyl)-3-[[4-[8-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propyl]carbamate

tert-butyl N-[3-(3-chlorophenyl)-3-[[4-[8-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propyl]carbamate (PubChem CID 163423551) has the molecular formula C32H41ClN8O2 and a molecular weight of 605.19 g/mol. Its IUPAC name is tert-butyl N-[3-(3-chlorophenyl)-3-[[4-[8-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-chlorophenyl)-3-[[4-[8-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propyl]carbamate
PubChem CID163423551
Molecular FormulaC32H41ClN8O2
Molecular Weight605.19 g/mol
Exact Mass604.30
IUPAC Nametert-butyl N-[3-(3-chlorophenyl)-3-[[4-[8-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propyl]carbamate
SMILESCCCC1CCN(c2nccn3c(-c4ccnc(NC(CCNC(=O)OC(C)(C)C)c5cccc(Cl)c5)n4)cnc23)CC1
InChIInChI=1S/C32H41ClN8O2/c1-5-7-22-12-17-40(18-13-22)28-29-37-21-27(41(29)19-16-34-28)26-11-14-35-30(39-26)38-25(23-8-6-9-24(33)20-23)10-15-36-31(42)43-32(2,3)4/h6,8-9,11,14,16,19-22,25H,5,7,10,12-13,15,17-18H2,1-4H3,(H,36,42)(H,35,38,39)
InChIKeyAKNWFALUTCNZCS-UHFFFAOYSA-N
XLogP6.92
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.19
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[3-(3-chlorophenyl)-3-[[4-[8-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propyl]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 tert-butyl N-[3-(3-chlorophenyl)-3-[[4-[8-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-chlorophenyl)-3-[[4-[8-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propyl]carbamate (CID 163423551) is tert-butyl N-[3-(3-chlorophenyl)-3-[[4-[8-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-chlorophenyl)-3-[[4-[8-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-chlorophenyl)-3-[[4-[8-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propyl]carbamate is CCCC1CCN(c2nccn3c(-c4ccnc(NC(CCNC(=O)OC(C)(C)C)c5cccc(Cl)c5)n4)cnc23)CC1.
What is the InChIKey of tert-butyl N-[3-(3-chlorophenyl)-3-[[4-[8-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propyl]carbamate?
The InChIKey is AKNWFALUTCNZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41ClN8O2/c1-5-7-22-12-17-40(18-13-22)28-29-37-21-27(41(29)19-16-34-28)26-11-14-35-30(39-26)38-25(23-8-6-9-24(33)20-23)10-15-36-31(42)43-32(2,3)4/h6,8-9,11,14,16,19-22,25H,5,7,10,12-13,15,17-18H2,1-4H3,(H,36,42)(H,35,38,39).
What are the key properties of tert-butyl N-[3-(3-chlorophenyl)-3-[[4-[8-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propyl]carbamate?
tert-butyl N-[3-(3-chlorophenyl)-3-[[4-[8-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propyl]carbamate has a molecular weight of 605.19 g/mol, XLogP of 6.92, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-chlorophenyl)-3-[[4-[8-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propyl]carbamate is sourced from PubChem (CID 163423551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).