2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid

C19H21N5O2 — CID 90723376

IUPAC2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid
SMILESNc1cc(N2CCC(CC(=O)O)CC2)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C19H21N5O2/c20-16-11-17(23-8-6-13(7-9-23)10-18(25)26)22-19-15(12-21-24(16)19)14-4-2-1-3-5-14/h1-5,11-13H,6-10,20H2,(H,25,26)
InChIKeyYZBVCBUMAAIPHN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.67
Rot. Bonds4

About 2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid

2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid (PubChem CID 90723376) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid
PubChem CID90723376
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid
SMILESNc1cc(N2CCC(CC(=O)O)CC2)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C19H21N5O2/c20-16-11-17(23-8-6-13(7-9-23)10-18(25)26)22-19-15(12-21-24(16)19)14-4-2-1-3-5-14/h1-5,11-13H,6-10,20H2,(H,25,26)
InChIKeyYZBVCBUMAAIPHN-UHFFFAOYSA-N
XLogP2.67
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid
CID 70215490
2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid
CID 58173376
1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol
CID 90693094
1-(7-ethenyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-4-carboxylic acid
CID 91578889
7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 3615753
2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
CID 90926114
3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71058470
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79608982
2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid
CID 58173413
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
2-[1-(2-carbamoylphenyl)piperidin-4-yl]acetic acid
CID 79608319
5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46945747

Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid (CID 90723376) is 2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid is Nc1cc(N2CCC(CC(=O)O)CC2)nc2c(-c3ccccc3)cnn12.
What is the InChIKey of 2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid?
The InChIKey is YZBVCBUMAAIPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c20-16-11-17(23-8-6-13(7-9-23)10-18(25)26)22-19-15(12-21-24(16)19)14-4-2-1-3-5-14/h1-5,11-13H,6-10,20H2,(H,25,26).
What are the key properties of 2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid?
2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid has a molecular weight of 351.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 90723376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).