2-[7-(1H-indazol-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C26H25N5O3 — CID 56932381

IUPAC2-[7-(1H-indazol-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1nc2cc(-c3ccccc3)nn2c(-c2ccc3cn[nH]c3c2)c1C(OC(C)(C)C)C(=O)O
InChIInChI=1S/C26H25N5O3/c1-15-22(24(25(32)33)34-26(2,3)4)23(17-10-11-18-14-27-29-19(18)12-17)31-21(28-15)13-20(30-31)16-8-6-5-7-9-16/h5-14,24H,1-4H3,(H,27,29)(H,32,33)
InChIKeyCRISHYPLDRVQHB-UHFFFAOYSA-N
MW455.52 g/mol
LogP5.19
Rot. Bonds5

About 2-[7-(1H-indazol-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[7-(1H-indazol-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 56932381) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-[7-(1H-indazol-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[7-(1H-indazol-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID56932381
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name2-[7-(1H-indazol-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1nc2cc(-c3ccccc3)nn2c(-c2ccc3cn[nH]c3c2)c1C(OC(C)(C)C)C(=O)O
InChIInChI=1S/C26H25N5O3/c1-15-22(24(25(32)33)34-26(2,3)4)23(17-10-11-18-14-27-29-19(18)12-17)31-21(28-15)13-20(30-31)16-8-6-5-7-9-16/h5-14,24H,1-4H3,(H,27,29)(H,32,33)
InChIKeyCRISHYPLDRVQHB-UHFFFAOYSA-N
XLogP5.19
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-(1H-indol-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 66695935
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-[7-(6-methoxy-3-pyridinyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 70660319
2-[7-(3,4-dimethylphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;2,2,2-trifluoroacetic acid
CID 56932273
2-[7-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 66695879
(2S)-2-[7-(4-chlorophenyl)-5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 66692198
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
2-(23-fluoro-7,13-dimethyl-15,20-dioxa-3,4,6-triazahexacyclo[25.3.1.12,5.110,14.04,9.021,26]tritriaconta-1(30),2,5(33),6,8,10(32),11,13,17,21(26),22,24,27(31),28-tetradecaen-8-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 123410672
(2S)-2-(25-fluoro-7,13-dimethyl-15,22-dioxa-3,4,6-triazahexacyclo[27.3.1.12,5.110,14.04,9.023,28]pentatriaconta-1(32),2,5(35),6,8,10(34),11,13,23(28),24,26,29(33),30-tridecaen-8-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 118336145
2-[7-(4,4-dimethylpiperidin-1-yl)-5-methyl-2-(3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 71730685
2-[2-(4-chlorophenyl)-7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 66695890
(2S)-2-(18-fluoro-4-methyl-21,29-dioxa-5,7,8-triazaoctacyclo[28.6.2.16,9.110,14.123,27.02,7.015,20.031,36]hentetraconta-1(37),2,4,6(41),8,10,12,14(40),15(20),16,18,23,25,27(39),30(38),31,33,35-octadecaen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 118336293

Frequently Asked Questions

What is the IUPAC name of 2-[7-(1H-indazol-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The IUPAC name of 2-[7-(1H-indazol-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 56932381) is 2-[7-(1H-indazol-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[7-(1H-indazol-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[7-(1H-indazol-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1nc2cc(-c3ccccc3)nn2c(-c2ccc3cn[nH]c3c2)c1C(OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[7-(1H-indazol-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is CRISHYPLDRVQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-15-22(24(25(32)33)34-26(2,3)4)23(17-10-11-18-14-27-29-19(18)12-17)31-21(28-15)13-20(30-31)16-8-6-5-7-9-16/h5-14,24H,1-4H3,(H,27,29)(H,32,33).
What are the key properties of 2-[7-(1H-indazol-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
2-[7-(1H-indazol-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 455.52 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1H-indazol-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 56932381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).