tert-butyl (2S)-2-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]morpholine-4-carboxylate

C24H27N7O5 — CID 156693662

IUPACtert-butyl (2S)-2-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]morpholine-4-carboxylate
SMILESCOc1cccc(O[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
InChIInChI=1S/C24H27N7O5/c1-24(2,3)36-23(32)31-8-9-34-21(14-31)35-18-7-5-6-17(33-4)22(18)16-10-19(30-29-16)28-20-13-26-15(11-25)12-27-20/h5-7,10,12-13,21H,8-9,14H2,1-4H3,(H2,27,28,29,30)/t21-/m0/s1
InChIKeyPWWFHKXIWZBJTB-NRFANRHFSA-N
MW493.52 g/mol
LogP3.46
Rot. Bonds6

About tert-butyl (2S)-2-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]morpholine-4-carboxylate

tert-butyl (2S)-2-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]morpholine-4-carboxylate (PubChem CID 156693662) has the molecular formula C24H27N7O5 and a molecular weight of 493.52 g/mol. Its IUPAC name is tert-butyl (2S)-2-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]morpholine-4-carboxylate
PubChem CID156693662
Molecular FormulaC24H27N7O5
Molecular Weight493.52 g/mol
Exact Mass493.21
IUPAC Nametert-butyl (2S)-2-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]morpholine-4-carboxylate
SMILESCOc1cccc(O[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
InChIInChI=1S/C24H27N7O5/c1-24(2,3)36-23(32)31-8-9-34-21(14-31)35-18-7-5-6-17(33-4)22(18)16-10-19(30-29-16)28-20-13-26-15(11-25)12-27-20/h5-7,10,12-13,21H,8-9,14H2,1-4H3,(H2,27,28,29,30)/t21-/m0/s1
InChIKeyPWWFHKXIWZBJTB-NRFANRHFSA-N
XLogP3.46
TPSA147.51 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

tert-butyl 4-[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenyl]-4-fluoropiperidine-1-carboxylate
CID 118294597
tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate
CID 155594867
tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]-N-methylcarbamate
CID 164938391
5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147807
5-[[5-[2-(3-aminocyclobutyl)oxy-6-methoxy-4-methylphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 170070430
5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 167335278
(2S)-2-amino-N-[(2S)-1-[3-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]propylamino]-1-oxopropan-2-yl]-3-methylbutanamide
CID 177233724
tert-butyl 4-[[2-[(5-cyanopyrazin-2-yl)amino]-5-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 59613336
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridine-3-carboxylate
CID 59613326
tert-butyl (2S)-3-tert-butyl-2-[[[2-[(5-cyanopyrazin-2-yl)amino]-5-(4-methoxyphenyl)-4-pyridinyl]amino]methyl]morpholine-4-carboxylate
CID 91203140
tert-butyl 4-[[[5-amino-2-[(5-cyanopyrazin-2-yl)amino]-4-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 59613544
5-[[5-[6-(3-aminocyclobutyl)oxy-3-fluoro-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 167335230

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]morpholine-4-carboxylate (CID 156693662) is tert-butyl (2S)-2-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]morpholine-4-carboxylate is COc1cccc(O[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.
What is the InChIKey of tert-butyl (2S)-2-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]morpholine-4-carboxylate?
The InChIKey is PWWFHKXIWZBJTB-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N7O5/c1-24(2,3)36-23(32)31-8-9-34-21(14-31)35-18-7-5-6-17(33-4)22(18)16-10-19(30-29-16)28-20-13-26-15(11-25)12-27-20/h5-7,10,12-13,21H,8-9,14H2,1-4H3,(H2,27,28,29,30)/t21-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]morpholine-4-carboxylate?
tert-butyl (2S)-2-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]morpholine-4-carboxylate has a molecular weight of 493.52 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[2-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenoxy]morpholine-4-carboxylate is sourced from PubChem (CID 156693662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).