2-[4-(7-amino-6-cyano-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid

C24H22N6O2 — CID 67494440

IUPAC2-[4-(7-amino-6-cyano-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
SMILESN#Cc1c(C2CCC(CC(=O)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N
InChIInChI=1S/C24H22N6O2/c25-11-18-22(15-7-5-14(6-8-15)9-21(31)32)29-24-19(13-28-30(24)23(18)26)17-10-16-3-1-2-4-20(16)27-12-17/h1-4,10,12-15H,5-9,26H2,(H,31,32)
InChIKeyPHGPBRHEGPKVHX-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.15
Rot. Bonds4

About 2-[4-(7-amino-6-cyano-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid

2-[4-(7-amino-6-cyano-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid (PubChem CID 67494440) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-[4-(7-amino-6-cyano-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(7-amino-6-cyano-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
PubChem CID67494440
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name2-[4-(7-amino-6-cyano-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
SMILESN#Cc1c(C2CCC(CC(=O)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N
InChIInChI=1S/C24H22N6O2/c25-11-18-22(15-7-5-14(6-8-15)9-21(31)32)29-24-19(13-28-30(24)23(18)26)17-10-16-3-1-2-4-20(16)27-12-17/h1-4,10,12-15H,5-9,26H2,(H,31,32)
InChIKeyPHGPBRHEGPKVHX-UHFFFAOYSA-N
XLogP4.15
TPSA130.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-amino-6-cyano-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-(7-amino-6-cyano-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid (CID 67494440) is 2-[4-(7-amino-6-cyano-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(7-amino-6-cyano-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(7-amino-6-cyano-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid is N#Cc1c(C2CCC(CC(=O)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.
What is the InChIKey of 2-[4-(7-amino-6-cyano-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?
The InChIKey is PHGPBRHEGPKVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c25-11-18-22(15-7-5-14(6-8-15)9-21(31)32)29-24-19(13-28-30(24)23(18)26)17-10-16-3-1-2-4-20(16)27-12-17/h1-4,10,12-15H,5-9,26H2,(H,31,32).
What are the key properties of 2-[4-(7-amino-6-cyano-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?
2-[4-(7-amino-6-cyano-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid has a molecular weight of 426.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-amino-6-cyano-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid is sourced from PubChem (CID 67494440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).