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

C29H27N5O2 — CID 58173485

IUPAC2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
SMILESNc1c(-c2ccncc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12
InChIInChI=1S/C29H27N5O2/c30-28-26(20-11-13-31-14-12-20)27(21-7-5-18(6-8-21)15-25(35)36)33-29-24(17-32-34(28)29)23-10-9-19-3-1-2-4-22(19)16-23/h1-4,9-14,16-18,21H,5-8,15,30H2,(H,35,36)
InChIKeyUZPURLCQEJOTKG-UHFFFAOYSA-N
MW477.57 g/mol
LogP5.94
Rot. Bonds5

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

2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid (PubChem CID 58173485) has the molecular formula C29H27N5O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
PubChem CID58173485
Molecular FormulaC29H27N5O2
Molecular Weight477.57 g/mol
Exact Mass477.22
IUPAC Name2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
SMILESNc1c(-c2ccncc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12
InChIInChI=1S/C29H27N5O2/c30-28-26(20-11-13-31-14-12-20)27(21-7-5-18(6-8-21)15-25(35)36)33-29-24(17-32-34(28)29)23-10-9-19-3-1-2-4-22(19)16-23/h1-4,9-14,16-18,21H,5-8,15,30H2,(H,35,36)
InChIKeyUZPURLCQEJOTKG-UHFFFAOYSA-N
XLogP5.94
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 55.94
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-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid (CID 58173485) is 2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid is Nc1c(-c2ccncc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.
What is the InChIKey of 2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?
The InChIKey is UZPURLCQEJOTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O2/c30-28-26(20-11-13-31-14-12-20)27(21-7-5-18(6-8-21)15-25(35)36)33-29-24(17-32-34(28)29)23-10-9-19-3-1-2-4-22(19)16-23/h1-4,9-14,16-18,21H,5-8,15,30H2,(H,35,36).
What are the key properties of 2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?
2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid has a molecular weight of 477.57 g/mol, XLogP of 5.94, 5 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-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid is sourced from PubChem (CID 58173485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).