tert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate

C26H33N7O3 — CID 164560908

IUPACtert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
SMILESCC1(C)CC(=O)N(c2cn3c(-c4cccc(NC5CCN(C(=O)OC(C)(C)C)C5)n4)cnc3cn2)C1
InChIInChI=1S/C26H33N7O3/c1-25(2,3)36-24(35)31-10-9-17(14-31)29-20-8-6-7-18(30-20)19-12-27-21-13-28-22(15-32(19)21)33-16-26(4,5)11-23(33)34/h6-8,12-13,15,17H,9-11,14,16H2,1-5H3,(H,29,30)
InChIKeyGMJULPVFEIOPEL-UHFFFAOYSA-N
MW491.60 g/mol
LogP3.98
Rot. Bonds4

About tert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate

tert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate (PubChem CID 164560908) has the molecular formula C26H33N7O3 and a molecular weight of 491.60 g/mol. Its IUPAC name is tert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
PubChem CID164560908
Molecular FormulaC26H33N7O3
Molecular Weight491.60 g/mol
Exact Mass491.26
IUPAC Nametert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
SMILESCC1(C)CC(=O)N(c2cn3c(-c4cccc(NC5CCN(C(=O)OC(C)(C)C)C5)n4)cnc3cn2)C1
InChIInChI=1S/C26H33N7O3/c1-25(2,3)36-24(35)31-10-9-17(14-31)29-20-8-6-7-18(30-20)19-12-27-21-13-28-22(15-32(19)21)33-16-26(4,5)11-23(33)34/h6-8,12-13,15,17H,9-11,14,16H2,1-5H3,(H,29,30)
InChIKeyGMJULPVFEIOPEL-UHFFFAOYSA-N
XLogP3.98
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 166961888
tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 166961772
tert-butyl 3-[[6-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 166962176
3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;methane
CID 167605713
tert-butyl 3-[[6-[7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 167122404
tert-butyl (3S,4S)-3-[[6-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]amino]-4-fluoropyrrolidine-1-carboxylate
CID 164560906
tert-butyl (3S,4S)-3-[[6-(6-chloroimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]amino]-4-fluoropyrrolidine-1-carboxylate
CID 164560959
tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
CID 58303375
tert-butyl (3R)-3-[(5-bromo-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629441
tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate
CID 175109329
tert-butyl (3S,4S)-3-fluoro-4-[[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 163677775
tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 67241993

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate (CID 164560908) is tert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate is CC1(C)CC(=O)N(c2cn3c(-c4cccc(NC5CCN(C(=O)OC(C)(C)C)C5)n4)cnc3cn2)C1.
What is the InChIKey of tert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is GMJULPVFEIOPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O3/c1-25(2,3)36-24(35)31-10-9-17(14-31)29-20-8-6-7-18(30-20)19-12-27-21-13-28-22(15-32(19)21)33-16-26(4,5)11-23(33)34/h6-8,12-13,15,17H,9-11,14,16H2,1-5H3,(H,29,30).
What are the key properties of tert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 491.60 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 164560908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).