tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C26H31N7O3 — CID 121273663

IUPACtert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1nn(CC(=O)Nc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C26H31N7O3/c1-17-24(19-8-12-32(13-9-19)25(35)36-26(3,4)5)18(2)33(31-17)16-23(34)30-22-7-6-20(14-29-22)21-15-27-10-11-28-21/h6-8,10-11,14-15H,9,12-13,16H2,1-5H3,(H,29,30,34)
InChIKeyOKHWUFLUVHFANC-UHFFFAOYSA-N
MW489.58 g/mol
LogP4.01
Rot. Bonds5

About tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 121273663) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID121273663
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC Nametert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1nn(CC(=O)Nc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C26H31N7O3/c1-17-24(19-8-12-32(13-9-19)25(35)36-26(3,4)5)18(2)33(31-17)16-23(34)30-22-7-6-20(14-29-22)21-15-27-10-11-28-21/h6-8,10-11,14-15H,9,12-13,16H2,1-5H3,(H,29,30,34)
InChIKeyOKHWUFLUVHFANC-UHFFFAOYSA-N
XLogP4.01
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121273746
tert-butyl 4-[3,5-dimethyl-1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide
CID 158081847
tert-butyl 4-(6-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154620521
tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 144594549
tert-butyl 4-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58913408
methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxylate
CID 67125893
tert-butyl 4-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68751289
tert-butyl 4-pyrimidin-5-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 142573654
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-pyrazin-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 11348741
tert-butyl 4-[6-(3-methoxyprop-1-ynyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 134362475
tert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 70671675
tert-butyl 4-[6-[hydroxy(methyl)amino]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 123296836

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 121273663) is tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1nn(CC(=O)Nc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is OKHWUFLUVHFANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-17-24(19-8-12-32(13-9-19)25(35)36-26(3,4)5)18(2)33(31-17)16-23(34)30-22-7-6-20(14-29-22)21-15-27-10-11-28-21/h6-8,10-11,14-15H,9,12-13,16H2,1-5H3,(H,29,30,34).
What are the key properties of tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 489.58 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 121273663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).