2-[4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid

C23H26N4O2 — CID 25123454

IUPAC2-[4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid
SMILESNc1c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)cnc2cc(C3CC3)nn12
InChIInChI=1S/C23H26N4O2/c24-23-19(13-25-21-12-20(18-9-10-18)26-27(21)23)17-7-5-16(6-8-17)15-3-1-14(2-4-15)11-22(28)29/h5-8,12-15,18H,1-4,9-11,24H2,(H,28,29)
InChIKeyYPESWLCQZCALGQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.60
Rot. Bonds5

About 2-[4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid

2-[4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid (PubChem CID 25123454) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid
PubChem CID25123454
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid
SMILESNc1c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)cnc2cc(C3CC3)nn12
InChIInChI=1S/C23H26N4O2/c24-23-19(13-25-21-12-20(18-9-10-18)26-27(21)23)17-7-5-16(6-8-17)15-3-1-14(2-4-15)11-22(28)29/h5-8,12-15,18H,1-4,9-11,24H2,(H,28,29)
InChIKeyYPESWLCQZCALGQ-UHFFFAOYSA-N
XLogP4.60
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid (CID 25123454) is 2-[4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid is Nc1c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)cnc2cc(C3CC3)nn12.
What is the InChIKey of 2-[4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid?
The InChIKey is YPESWLCQZCALGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c24-23-19(13-25-21-12-20(18-9-10-18)26-27(21)23)17-7-5-16(6-8-17)15-3-1-14(2-4-15)11-22(28)29/h5-8,12-15,18H,1-4,9-11,24H2,(H,28,29).
What are the key properties of 2-[4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid?
2-[4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid has a molecular weight of 390.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 25123454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).