methyl 2-(2-tert-butyl-5-methyl-7-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate

C26H30N4O2 — CID 67258447

IUPACmethyl 2-(2-tert-butyl-5-methyl-7-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
SMILESCCCC(C(=O)OC)c1c(C)nc2cc(C(C)(C)C)nn2c1-c1cccc2ncccc12
InChIInChI=1S/C26H30N4O2/c1-7-10-19(25(31)32-6)23-16(2)28-22-15-21(26(3,4)5)29-30(22)24(23)18-11-8-13-20-17(18)12-9-14-27-20/h8-9,11-15,19H,7,10H2,1-6H3
InChIKeyAYUYEKSNZHEZLU-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.61
Rot. Bonds5

About methyl 2-(2-tert-butyl-5-methyl-7-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate

methyl 2-(2-tert-butyl-5-methyl-7-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate (PubChem CID 67258447) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is methyl 2-(2-tert-butyl-5-methyl-7-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(2-tert-butyl-5-methyl-7-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
PubChem CID67258447
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Namemethyl 2-(2-tert-butyl-5-methyl-7-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
SMILESCCCC(C(=O)OC)c1c(C)nc2cc(C(C)(C)C)nn2c1-c1cccc2ncccc12
InChIInChI=1S/C26H30N4O2/c1-7-10-19(25(31)32-6)23-16(2)28-22-15-21(26(3,4)5)29-30(22)24(23)18-11-8-13-20-17(18)12-9-14-27-20/h8-9,11-15,19H,7,10H2,1-6H3
InChIKeyAYUYEKSNZHEZLU-UHFFFAOYSA-N
XLogP5.61
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-tert-butyl-7-(2-fluoro-4-methylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]pentanoate
CID 67259241
methyl 2-[2-tert-butyl-7-(3-hydroxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]pentanoate
CID 67259244
methyl 2-[7-(1-benzothiophen-5-yl)-2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]pentanoate
CID 67259298
2-(2-tert-butyl-5-methyl-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid
CID 67257531
methyl 2-(4-chloro-2-methylpyrimido[1,2-b]indazol-3-yl)pentanoate
CID 86696591
2-[2-tert-butyl-7-(1H-indol-5-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]pentanoic acid
CID 67258475
2-quinolin-5-ylpentanoic acid
CID 83042751
N-ethyl-5,6-dimethyl-3-quinolin-5-ylpyrazin-2-amine
CID 81228155
methyl (2S)-2-[2-(3-chlorophenyl)-5-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 66693736
ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate
CID 79474968
ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate
CID 102144493
2-amino-N-quinolin-5-ylhexanamide
CID 54928381

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-tert-butyl-5-methyl-7-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The IUPAC name of methyl 2-(2-tert-butyl-5-methyl-7-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate (CID 67258447) is methyl 2-(2-tert-butyl-5-methyl-7-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate.
What is the SMILES notation for methyl 2-(2-tert-butyl-5-methyl-7-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The canonical SMILES for methyl 2-(2-tert-butyl-5-methyl-7-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate is CCCC(C(=O)OC)c1c(C)nc2cc(C(C)(C)C)nn2c1-c1cccc2ncccc12.
What is the InChIKey of methyl 2-(2-tert-butyl-5-methyl-7-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The InChIKey is AYUYEKSNZHEZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-7-10-19(25(31)32-6)23-16(2)28-22-15-21(26(3,4)5)29-30(22)24(23)18-11-8-13-20-17(18)12-9-14-27-20/h8-9,11-15,19H,7,10H2,1-6H3.
What are the key properties of methyl 2-(2-tert-butyl-5-methyl-7-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
methyl 2-(2-tert-butyl-5-methyl-7-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate has a molecular weight of 430.55 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-tert-butyl-5-methyl-7-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate is sourced from PubChem (CID 67258447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).