tert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate

C25H33N7O3 — CID 23653888

IUPACtert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate
SMILESCc1ccc(NC(=O)NCc2cccn3cc(CN4CCN(C(=O)OC(C)(C)C)CC4)nc23)cn1
InChIInChI=1S/C25H33N7O3/c1-18-7-8-20(15-26-18)29-23(33)27-14-19-6-5-9-32-17-21(28-22(19)32)16-30-10-12-31(13-11-30)24(34)35-25(2,3)4/h5-9,15,17H,10-14,16H2,1-4H3,(H2,27,29,33)
InChIKeyQEBVCVQIXAYTFX-UHFFFAOYSA-N
MW479.59 g/mol
LogP3.41
Rot. Bonds5

About tert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate

tert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate (PubChem CID 23653888) has the molecular formula C25H33N7O3 and a molecular weight of 479.59 g/mol. Its IUPAC name is tert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate
PubChem CID23653888
Molecular FormulaC25H33N7O3
Molecular Weight479.59 g/mol
Exact Mass479.26
IUPAC Nametert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate
SMILESCc1ccc(NC(=O)NCc2cccn3cc(CN4CCN(C(=O)OC(C)(C)C)CC4)nc23)cn1
InChIInChI=1S/C25H33N7O3/c1-18-7-8-20(15-26-18)29-23(33)27-14-19-6-5-9-32-17-21(28-22(19)32)16-30-10-12-31(13-11-30)24(34)35-25(2,3)4/h5-9,15,17H,10-14,16H2,1-4H3,(H2,27,29,33)
InChIKeyQEBVCVQIXAYTFX-UHFFFAOYSA-N
XLogP3.41
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate
CID 23655013
tert-butyl 4-[[2,4-difluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate
CID 58919238
tert-butyl 4-[[3-[(1S)-1-[(6-methyl-3-pyridinyl)carbamoylamino]ethyl]phenyl]methyl]piperazine-1-carboxylate
CID 68764838
methyl 4-[[4-chloro-3-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate
CID 68764992
methyl 4-[[2,4-difluoro-3-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate
CID 68764802
methyl 4-[[4-chloro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate
CID 66546214
tert-butyl 4-[[3-[[formyl-[(6-methyl-3-pyridinyl)amino]amino]methyl]phenyl]methyl]piperazine-1-carboxylate
CID 24859081
tert-butyl 4-[[6-(chloromethyl)-2-pyridinyl]methyl]piperazine-1-carboxylate
CID 58105228
tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate
CID 69454140
bis(tert-butyl 4-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate);N,N-dimethylsulfamoyl chloride;1-[3-[[4-(dimethylsulfamoyl)piperazin-1-yl]methyl]-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea;methyl carbonochloridate;methyl 4-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate;dihydrofluoride
CID 160899656
tert-butyl 4-[[2-(hydroxymethyl)-3-pyridinyl]methyl]piperazine-1-carboxylate
CID 138471901
tert-butyl 4-[(6-methoxycarbonyl-2-pyridinyl)methyl]piperazine-1-carboxylate
CID 170903622

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate (CID 23653888) is tert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate is Cc1ccc(NC(=O)NCc2cccn3cc(CN4CCN(C(=O)OC(C)(C)C)CC4)nc23)cn1.
What is the InChIKey of tert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate?
The InChIKey is QEBVCVQIXAYTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O3/c1-18-7-8-20(15-26-18)29-23(33)27-14-19-6-5-9-32-17-21(28-22(19)32)16-30-10-12-31(13-11-30)24(34)35-25(2,3)4/h5-9,15,17H,10-14,16H2,1-4H3,(H2,27,29,33).
What are the key properties of tert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate?
tert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate has a molecular weight of 479.59 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 23653888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).