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Tert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate

C27H28ClF3N8O3 — CID 157024552

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(Nc3nccn4c(-c5cn[nH]c5C(F)(F)F)cnc34)cc2Cl)CC1
InChIInChI=1S/C27H28ClF3N8O3/c1-26(2,3)42-25(41)36-15-6-9-38(10-7-15)24(40)17-5-4-16(12-19(17)28)35-22-23-33-14-20(39(23)11-8-32-22)18-13-34-37-21(18)27(29,30)31/h4-5,8,11-15H,6-7,9-10H2,1-3H3,(H,32,35)(H,34,37)(H,36,41)
InChIKeyOJKPVTJFZAHEAS-UHFFFAOYSA-N
MW605.02 g/mol
LogP5.66
Rot. Bonds5

About Tert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate

Tert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate (PubChem CID 157024552) has the molecular formula C27H28ClF3N8O3 and a molecular weight of 605.02 g/mol. Its IUPAC name is tert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound NameTert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate
PubChem CID157024552
Molecular FormulaC27H28ClF3N8O3
Molecular Weight605.02 g/mol
Exact Mass604.19
IUPAC Nametert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(Nc3nccn4c(-c5cn[nH]c5C(F)(F)F)cnc34)cc2Cl)CC1
InChIInChI=1S/C27H28ClF3N8O3/c1-26(2,3)42-25(41)36-15-6-9-38(10-7-15)24(40)17-5-4-16(12-19(17)28)35-22-23-33-14-20(39(23)11-8-32-22)18-13-34-37-21(18)27(29,30)31/h4-5,8,11-15H,6-7,9-10H2,1-3H3,(H,32,35)(H,34,37)(H,36,41)
InChIKeyOJKPVTJFZAHEAS-UHFFFAOYSA-N
XLogP5.66
TPSA129.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.02
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze Tert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate?
The IUPAC name of Tert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate (CID 157024552) is tert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for Tert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate?
The canonical SMILES for Tert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(Nc3nccn4c(-c5cn[nH]c5C(F)(F)F)cnc34)cc2Cl)CC1.
What is the InChIKey of Tert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate?
The InChIKey is OJKPVTJFZAHEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClF3N8O3/c1-26(2,3)42-25(41)36-15-6-9-38(10-7-15)24(40)17-5-4-16(12-19(17)28)35-22-23-33-14-20(39(23)11-8-32-22)18-13-34-37-21(18)27(29,30)31/h4-5,8,11-15H,6-7,9-10H2,1-3H3,(H,32,35)(H,34,37)(H,36,41).
What are the key properties of Tert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate?
Tert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate has a molecular weight of 605.02 g/mol, XLogP of 5.66, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 157024552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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