tert-butyl N-[(2S)-1-[[2-methoxy-5-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

C23H27N5O4 — CID 71490913

IUPACtert-butyl N-[(2S)-1-[[2-methoxy-5-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCOc1ncc(-c2ccn[nH]2)cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H27N5O4/c1-23(2,3)32-22(30)27-18(12-15-8-6-5-7-9-15)20(29)26-19-13-16(14-24-21(19)31-4)17-10-11-25-28-17/h5-11,13-14,18H,12H2,1-4H3,(H,25,28)(H,26,29)(H,27,30)/t18-/m0/s1
InChIKeyOAXVMYXQOPHWMN-SFHVURJKSA-N
MW437.50 g/mol
LogP3.55
Rot. Bonds7

About tert-butyl N-[(2S)-1-[[2-methoxy-5-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

tert-butyl N-[(2S)-1-[[2-methoxy-5-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 71490913) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[2-methoxy-5-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[[2-methoxy-5-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID71490913
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Nametert-butyl N-[(2S)-1-[[2-methoxy-5-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCOc1ncc(-c2ccn[nH]2)cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H27N5O4/c1-23(2,3)32-22(30)27-18(12-15-8-6-5-7-9-15)20(29)26-19-13-16(14-24-21(19)31-4)17-10-11-25-28-17/h5-11,13-14,18H,12H2,1-4H3,(H,25,28)(H,26,29)(H,27,30)/t18-/m0/s1
InChIKeyOAXVMYXQOPHWMN-SFHVURJKSA-N
XLogP3.55
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(pyrimidin-2-ylamino)propan-2-yl]carbamate
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tert-butyl N-[1-oxo-3-phenyl-1-(2-propan-2-ylanilino)propan-2-yl]carbamate
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tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(3-pyridin-4-ylanilino)propan-2-yl]carbamate
CID 71490875
tert-butyl N-[(2S)-1-[4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]butylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
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tert-butyl N-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate
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tert-butyl N-[1-(2-methoxy-4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
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methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 7452250
methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 101197830
(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[2-methoxy-5-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[[2-methoxy-5-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 71490913) is tert-butyl N-[(2S)-1-[[2-methoxy-5-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[[2-methoxy-5-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[[2-methoxy-5-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate is COc1ncc(-c2ccn[nH]2)cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[[2-methoxy-5-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is OAXVMYXQOPHWMN-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-23(2,3)32-22(30)27-18(12-15-8-6-5-7-9-15)20(29)26-19-13-16(14-24-21(19)31-4)17-10-11-25-28-17/h5-11,13-14,18H,12H2,1-4H3,(H,25,28)(H,26,29)(H,27,30)/t18-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[[2-methoxy-5-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[[2-methoxy-5-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 437.50 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[[2-methoxy-5-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 71490913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).