2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid

C19H23N5O2 — CID 58173376

IUPAC2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid
SMILESCn1ccc(-c2cnn3c(N)cc(C4CCC(CC(=O)O)CC4)nc23)c1
InChIInChI=1S/C19H23N5O2/c1-23-7-6-14(11-23)15-10-21-24-17(20)9-16(22-19(15)24)13-4-2-12(3-5-13)8-18(25)26/h6-7,9-13H,2-5,8,20H2,1H3,(H,25,26)
InChIKeyLGSRBLHHDXDYCV-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.07
Rot. Bonds4

About 2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid

2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid (PubChem CID 58173376) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid
PubChem CID58173376
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid
SMILESCn1ccc(-c2cnn3c(N)cc(C4CCC(CC(=O)O)CC4)nc23)c1
InChIInChI=1S/C19H23N5O2/c1-23-7-6-14(11-23)15-10-21-24-17(20)9-16(22-19(15)24)13-4-2-12(3-5-13)8-18(25)26/h6-7,9-13H,2-5,8,20H2,1H3,(H,25,26)
InChIKeyLGSRBLHHDXDYCV-UHFFFAOYSA-N
XLogP3.07
TPSA98.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid (CID 58173376) is 2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid is Cn1ccc(-c2cnn3c(N)cc(C4CCC(CC(=O)O)CC4)nc23)c1.
What is the InChIKey of 2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid?
The InChIKey is LGSRBLHHDXDYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-23-7-6-14(11-23)15-10-21-24-17(20)9-16(22-19(15)24)13-4-2-12(3-5-13)8-18(25)26/h6-7,9-13H,2-5,8,20H2,1H3,(H,25,26).
What are the key properties of 2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid?
2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid has a molecular weight of 353.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid is sourced from PubChem (CID 58173376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).