2-(2-tert-butyl-5-methyl-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid

C26H29N3O2 — CID 67257531

IUPAC2-(2-tert-butyl-5-methyl-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1c(C)nc2cc(C(C)(C)C)nn2c1-c1ccc2ccccc2c1
InChIInChI=1S/C26H29N3O2/c1-6-9-20(25(30)31)23-16(2)27-22-15-21(26(3,4)5)28-29(22)24(23)19-13-12-17-10-7-8-11-18(17)14-19/h7-8,10-15,20H,6,9H2,1-5H3,(H,30,31)
InChIKeyGZGMTIWBAHLYEK-UHFFFAOYSA-N
MW415.54 g/mol
LogP6.12
Rot. Bonds5

About 2-(2-tert-butyl-5-methyl-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid

2-(2-tert-butyl-5-methyl-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid (PubChem CID 67257531) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-methyl-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid.

Molecular Properties

Compound Name2-(2-tert-butyl-5-methyl-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid
PubChem CID67257531
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name2-(2-tert-butyl-5-methyl-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1c(C)nc2cc(C(C)(C)C)nn2c1-c1ccc2ccccc2c1
InChIInChI=1S/C26H29N3O2/c1-6-9-20(25(30)31)23-16(2)27-22-15-21(26(3,4)5)28-29(22)24(23)19-13-12-17-10-7-8-11-18(17)14-19/h7-8,10-15,20H,6,9H2,1-5H3,(H,30,31)
InChIKeyGZGMTIWBAHLYEK-UHFFFAOYSA-N
XLogP6.12
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-tert-butyl-7-(1H-indol-5-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]pentanoic acid
CID 67258475
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
methyl 2-[2-tert-butyl-7-(1H-indol-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-phenylpropanoate
CID 71087626
2-[3-bromo-2-tert-butyl-5-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pentanoic acid
CID 53307253
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-5-methyl-7-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
CID 67258447
2-[2-(benzylamino)-4-methyl-6-(4-methylphenyl)pyrimidin-5-yl]pentanoic acid
CID 66955986
2-[7-(3,4-difluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 66695861
2-(2-chloro-4-methyl-6-phenylpyrimidin-5-yl)pentanoic acid
CID 123767989
2-[1-methyl-4-(4-methylphenyl)-2-oxobenzo[b][1,8]naphthyridin-3-yl]pentanoic acid
CID 87945132
2-[4-methyl-6-(4-methylphenyl)-2-phenylsulfanylpyrimidin-5-yl]pentanoic acid
CID 66955977

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-methyl-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid?
The IUPAC name of 2-(2-tert-butyl-5-methyl-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid (CID 67257531) is 2-(2-tert-butyl-5-methyl-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid.
What is the SMILES notation for 2-(2-tert-butyl-5-methyl-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid?
The canonical SMILES for 2-(2-tert-butyl-5-methyl-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid is CCCC(C(=O)O)c1c(C)nc2cc(C(C)(C)C)nn2c1-c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-tert-butyl-5-methyl-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid?
The InChIKey is GZGMTIWBAHLYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-6-9-20(25(30)31)23-16(2)27-22-15-21(26(3,4)5)28-29(22)24(23)19-13-12-17-10-7-8-11-18(17)14-19/h7-8,10-15,20H,6,9H2,1-5H3,(H,30,31).
What are the key properties of 2-(2-tert-butyl-5-methyl-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid?
2-(2-tert-butyl-5-methyl-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid has a molecular weight of 415.54 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-methyl-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid is sourced from PubChem (CID 67257531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).