tert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate

C63H75N11O9 — CID 163431631

IUPACtert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate
SMILESC=CCc1cn(Cc2ccccc2)nc1-c1nnc(-c2nc(O[C@H](C)CC=C)c(C)cc2NC(=O)OC(C)(C)C)o1.C=CCc1cn(Cc2ccccc2)nc1C(=O)NCC(=O)c1nc(O[C@H](C)CC=C)c(C)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C32H39N5O5.C31H36N6O4/c1-8-13-22(4)41-30-21(3)17-25(34-31(40)42-32(5,6)7)28(35-30)26(38)18-33-29(39)27-24(14-9-2)20-37(36-27)19-23-15-11-10-12-16-23;1-8-13-21(4)39-27-20(3)17-24(32-30(38)41-31(5,6)7)26(33-27)29-35-34-28(40-29)25-23(14-9-2)19-37(36-25)18-22-15-11-10-12-16-22/h8-12,15-17,20,22H,1-2,13-14,18-19H2,3-7H3,(H,33,39)(H,34,40);8-12,15-17,19,21H,1-2,13-14,18H2,3-7H3,(H,32,38)/t22-;21-/m11/s1
InChIKeyAQZJFRBLOLCADI-FRQDGDBPSA-N
MW1130.36 g/mol
LogP12.44
Rot. Bonds24

About tert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate

tert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate (PubChem CID 163431631) has the molecular formula C63H75N11O9 and a molecular weight of 1130.36 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate
PubChem CID163431631
Molecular FormulaC63H75N11O9
Molecular Weight1130.36 g/mol
Exact Mass1129.57
IUPAC Nametert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate
SMILESC=CCc1cn(Cc2ccccc2)nc1-c1nnc(-c2nc(O[C@H](C)CC=C)c(C)cc2NC(=O)OC(C)(C)C)o1.C=CCc1cn(Cc2ccccc2)nc1C(=O)NCC(=O)c1nc(O[C@H](C)CC=C)c(C)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C32H39N5O5.C31H36N6O4/c1-8-13-22(4)41-30-21(3)17-25(34-31(40)42-32(5,6)7)28(35-30)26(38)18-33-29(39)27-24(14-9-2)20-37(36-27)19-23-15-11-10-12-16-23;1-8-13-21(4)39-27-20(3)17-24(32-30(38)41-31(5,6)7)26(33-27)29-35-34-28(40-29)25-23(14-9-2)19-37(36-25)18-22-15-11-10-12-16-22/h8-12,15-17,20,22H,1-2,13-14,18-19H2,3-7H3,(H,33,39)(H,34,40);8-12,15-17,19,21H,1-2,13-14,18H2,3-7H3,(H,32,38)/t22-;21-/m11/s1
InChIKeyAQZJFRBLOLCADI-FRQDGDBPSA-N
XLogP12.44
TPSA241.63 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001130.36
LogP ≤ 512.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(15R)-8-benzyl-15,18-dimethyl-16,22-dioxa-3,4,7,8,21-pentazatetracyclo[15.3.1.12,5.06,10]docosa-1(20),2,4,6,9,17(21),18-heptaen-20-yl]carbamate
CID 163604553
tert-butyl N-[5-(difluoromethyl)-6-[(2R)-pent-4-en-2-yl]oxy-2-[5-(1,1,1-trifluoro-2-hydroxyhex-5-en-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate;ethane
CID 162726662
1-benzyl-4-prop-2-enylpyrazole-3-carbohydrazide
CID 162772863
1-benzyl-4-prop-2-enylpyrazole-3-carboxylic acid;ethane
CID 162726747
tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate
CID 146254523
tert-butyl N-[(15R)-8-fluoro-6-hydroxy-15,18-dimethyl-6-(trifluoromethyl)-16,23-dioxa-3,4,21-triazatetracyclo[15.3.1.12,5.17,11]tricosa-1(20),2,4,7,9,11(22),12,17(21),18-nonaen-20-yl]carbamate;tert-butyl N-[5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-2-[5-[2,2,2-trifluoro-1-(2-fluoro-5-iodophenyl)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 163798296
tert-butyl N-[6-(2,2-dimethylpent-4-enoyl)-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxyhex-5-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate
CID 169136946
tert-butyl N-[6-(1-but-3-enylcyclobutanecarbonyl)-5-(trifluoromethyl)-2-[5-[(2R)-1,1,1-trifluoro-2-phenylmethoxypent-4-en-2-yl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamate
CID 169136827
tert-butyl N-[6-(5-but-3-enyl-1,3,4-oxadiazol-2-yl)-2-[5-(1,1,1-trifluorohex-5-en-2-yl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 170117490
6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide
CID 163876701
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)-6-[5-[1,1,1-trifluoro-3-(3-oxopropoxy)-2-phenylmethoxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylate
CID 169136931
tert-butyl N-[6-but-3-enoxy-2-[(2-phenylmethoxyhex-5-enoylamino)carbamoyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 169126054

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate (CID 163431631) is tert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate is C=CCc1cn(Cc2ccccc2)nc1-c1nnc(-c2nc(O[C@H](C)CC=C)c(C)cc2NC(=O)OC(C)(C)C)o1.C=CCc1cn(Cc2ccccc2)nc1C(=O)NCC(=O)c1nc(O[C@H](C)CC=C)c(C)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate?
The InChIKey is AQZJFRBLOLCADI-FRQDGDBPSA-N. The full InChI is InChI=1S/C32H39N5O5.C31H36N6O4/c1-8-13-22(4)41-30-21(3)17-25(34-31(40)42-32(5,6)7)28(35-30)26(38)18-33-29(39)27-24(14-9-2)20-37(36-27)19-23-15-11-10-12-16-23;1-8-13-21(4)39-27-20(3)17-24(32-30(38)41-31(5,6)7)26(33-27)29-35-34-28(40-29)25-23(14-9-2)19-37(36-25)18-22-15-11-10-12-16-22/h8-12,15-17,20,22H,1-2,13-14,18-19H2,3-7H3,(H,33,39)(H,34,40);8-12,15-17,19,21H,1-2,13-14,18H2,3-7H3,(H,32,38)/t22-;21-/m11/s1.
What are the key properties of tert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate?
tert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate has a molecular weight of 1130.36 g/mol, XLogP of 12.44, 24 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate is sourced from PubChem (CID 163431631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).