5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C16H23ClN4O2 — CID 134280730

IUPAC5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCC(C)CN(c1cc(Cl)nc2cc(C(=O)O)nn12)[C@H](C)C(C)C
InChIInChI=1S/C16H23ClN4O2/c1-9(2)8-20(11(5)10(3)4)15-7-13(17)18-14-6-12(16(22)23)19-21(14)15/h6-7,9-11H,8H2,1-5H3,(H,22,23)/t11-/m1/s1
InChIKeyQEURDMFDYKYFBM-LLVKDONJSA-N
MW338.84 g/mol
LogP3.59
Rot. Bonds6

About 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 134280730) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID134280730
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCC(C)CN(c1cc(Cl)nc2cc(C(=O)O)nn12)[C@H](C)C(C)C
InChIInChI=1S/C16H23ClN4O2/c1-9(2)8-20(11(5)10(3)4)15-7-13(17)18-14-6-12(16(22)23)19-21(14)15/h6-7,9-11H,8H2,1-5H3,(H,22,23)/t11-/m1/s1
InChIKeyQEURDMFDYKYFBM-LLVKDONJSA-N
XLogP3.59
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 134280740
2-[(1R,5S)-3-[5-(4-chloro-3,5-difluorophenyl)-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid;triiodovanadium
CID 158587315
ethyl 2-[(5R)-3-[5-chloro-7-[2-methylpropyl-[(1S)-1-phenylethyl]amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate
CID 134320437
ethyl 2-[(5S)-3-[5-chloro-7-[2-methylpropyl-[(1S)-1-phenylethyl]amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate
CID 134280667
2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 55000783
5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957603
5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 19916307
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
5-(2-chlorophenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957891
5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 19975930
7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957585
5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918512

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 134280730) is 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is CC(C)CN(c1cc(Cl)nc2cc(C(=O)O)nn12)[C@H](C)C(C)C.
What is the InChIKey of 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is QEURDMFDYKYFBM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23ClN4O2/c1-9(2)8-20(11(5)10(3)4)15-7-13(17)18-14-6-12(16(22)23)19-21(14)15/h6-7,9-11H,8H2,1-5H3,(H,22,23)/t11-/m1/s1.
What are the key properties of 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 338.84 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 134280730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).