methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol

C41H53N3O5 — CID 144727510

IUPACmethyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol
SMILESC=CCCOc1ccc(C)cc1-c1cccc(-c2cc3c(N4CCC(C)(OCC=C)CC4)c(CC(=O)OC)c(C)cn3n2)c1.CC(C)(C)O
InChIInChI=1S/C37H43N3O4.C4H10O/c1-7-9-20-43-34-14-13-26(3)21-31(34)28-11-10-12-29(22-28)32-24-33-36(39-17-15-37(5,16-18-39)44-19-8-2)30(23-35(41)42-6)27(4)25-40(33)38-32;1-4(2,3)5/h7-8,10-14,21-22,24-25H,1-2,9,15-20,23H2,3-6H3;5H,1-3H3
InChIKeySUYPGVXQJPEVON-UHFFFAOYSA-N
MW667.89 g/mol
LogP8.29
Rot. Bonds12

About methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol

methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol (PubChem CID 144727510) has the molecular formula C41H53N3O5 and a molecular weight of 667.89 g/mol. Its IUPAC name is methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol.

Molecular Properties

Compound Namemethyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol
PubChem CID144727510
Molecular FormulaC41H53N3O5
Molecular Weight667.89 g/mol
Exact Mass667.40
IUPAC Namemethyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol
SMILESC=CCCOc1ccc(C)cc1-c1cccc(-c2cc3c(N4CCC(C)(OCC=C)CC4)c(CC(=O)OC)c(C)cn3n2)c1.CC(C)(C)O
InChIInChI=1S/C37H43N3O4.C4H10O/c1-7-9-20-43-34-14-13-26(3)21-31(34)28-11-10-12-29(22-28)32-24-33-36(39-17-15-37(5,16-18-39)44-19-8-2)30(23-35(41)42-6)27(4)25-40(33)38-32;1-4(2,3)5/h7-8,10-14,21-22,24-25H,1-2,9,15-20,23H2,3-6H3;5H,1-3H3
InChIKeySUYPGVXQJPEVON-UHFFFAOYSA-N
XLogP8.29
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.89
LogP ≤ 58.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol with MolForge

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Related Compounds

2-[6-methyl-2-[3-[5-methyl-2-(2-methylbut-3-enoxy)phenyl]phenyl]-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 118678149
ethyl 2-[2-[3-(2-but-3-enoxy-5-methoxyphenyl)phenyl]-5-methyl-7-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]acetate;2-methylpropan-2-ol
CID 144907944
methyl 2-[(22S)-4,17,22,28-tetramethyl-21,27-dioxa-1,6,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,7,9(34),10,12,14(33),15(20),16,18-decaen-3-yl]acetate
CID 126627513
2-[2-[3-(6-butoxy-2-fluoro-3-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-propoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid
CID 126627255
2-[2-[3-[4-fluoro-2-[(2S)-pent-4-en-2-yl]oxyphenyl]phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 118678132
2-[2-[3-(2-butoxy-6-fluorophenyl)phenyl]-4-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid;2-methylpropan-2-ol
CID 144727511
methyl 2-[2-[[2-hydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamoyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate
CID 126627486
methyl 2-[5-methyl-2-[3-(4-methyl-2-propan-2-yloxyphenyl)phenyl]-7-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 123865826
methyl 2-[2-[3-(3-but-3-enylpyrazol-1-yl)phenyl]-5-methyl-7-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]acetate
CID 144902763
ethyl (2S)-2-[2-[3-(2-hydroxy-4-methylphenyl)phenyl]-5-methyl-7-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 118334720
2-[7-methyl-2-[3-(3-methylphenyl)-2-[(2S)-pent-4-en-2-yl]oxyphenyl]-5-(4-methyl-4-prop-2-enoxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 118326376
2-[2-[3-[4,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxyphenyl]phenyl]-7,8-dimethyl-5-(4-methyl-4-prop-2-enoxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 118308823

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol?
The IUPAC name of methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol (CID 144727510) is methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol.
What is the SMILES notation for methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol?
The canonical SMILES for methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol is C=CCCOc1ccc(C)cc1-c1cccc(-c2cc3c(N4CCC(C)(OCC=C)CC4)c(CC(=O)OC)c(C)cn3n2)c1.CC(C)(C)O.
What is the InChIKey of methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol?
The InChIKey is SUYPGVXQJPEVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43N3O4.C4H10O/c1-7-9-20-43-34-14-13-26(3)21-31(34)28-11-10-12-29(22-28)32-24-33-36(39-17-15-37(5,16-18-39)44-19-8-2)30(23-35(41)42-6)27(4)25-40(33)38-32;1-4(2,3)5/h7-8,10-14,21-22,24-25H,1-2,9,15-20,23H2,3-6H3;5H,1-3H3.
What are the key properties of methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol?
methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol has a molecular weight of 667.89 g/mol, XLogP of 8.29, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol is sourced from PubChem (CID 144727510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).