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

C25H23N5O2 — CID 58173428

IUPAC2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
SMILESN#Cc1c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn2c1N
InChIInChI=1S/C25H23N5O2/c26-13-20-23(17-7-5-15(6-8-17)11-22(31)32)29-25-21(14-28-30(25)24(20)27)19-10-9-16-3-1-2-4-18(16)12-19/h1-4,9-10,12,14-15,17H,5-8,11,27H2,(H,31,32)
InChIKeyIFYAEJOQICYQDH-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.75
Rot. Bonds4

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

2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid (PubChem CID 58173428) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
PubChem CID58173428
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
SMILESN#Cc1c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn2c1N
InChIInChI=1S/C25H23N5O2/c26-13-20-23(17-7-5-15(6-8-17)11-22(31)32)29-25-21(14-28-30(25)24(20)27)19-10-9-16-3-1-2-4-18(16)12-19/h1-4,9-10,12,14-15,17H,5-8,11,27H2,(H,31,32)
InChIKeyIFYAEJOQICYQDH-UHFFFAOYSA-N
XLogP4.75
TPSA117.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.75
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-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid (CID 58173428) is 2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid is N#Cc1c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn2c1N.
What is the InChIKey of 2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?
The InChIKey is IFYAEJOQICYQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c26-13-20-23(17-7-5-15(6-8-17)11-22(31)32)29-25-21(14-28-30(25)24(20)27)19-10-9-16-3-1-2-4-18(16)12-19/h1-4,9-10,12,14-15,17H,5-8,11,27H2,(H,31,32).
What are the key properties of 2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?
2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid has a molecular weight of 425.49 g/mol, XLogP of 4.75, 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-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid is sourced from PubChem (CID 58173428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).