7-methyl-N-(2-naphthalen-2-yloxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C29H28N4O2 — CID 44580036

IUPAC7-methyl-N-(2-naphthalen-2-yloxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCOc2ccc3ccccc3c2)cnc2c(-c3ccc(C(C)C)cc3)cnn12
InChIInChI=1S/C29H28N4O2/c1-19(2)21-8-10-23(11-9-21)27-18-32-33-20(3)26(17-31-28(27)33)29(34)30-14-15-35-25-13-12-22-6-4-5-7-24(22)16-25/h4-13,16-19H,14-15H2,1-3H3,(H,30,34)
InChIKeyLBSWFPNOCAZHJX-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.79
Rot. Bonds7

About 7-methyl-N-(2-naphthalen-2-yloxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

7-methyl-N-(2-naphthalen-2-yloxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 44580036) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 7-methyl-N-(2-naphthalen-2-yloxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-naphthalen-2-yloxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID44580036
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC Name7-methyl-N-(2-naphthalen-2-yloxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCOc2ccc3ccccc3c2)cnc2c(-c3ccc(C(C)C)cc3)cnn12
InChIInChI=1S/C29H28N4O2/c1-19(2)21-8-10-23(11-9-21)27-18-32-33-20(3)26(17-31-28(27)33)29(34)30-14-15-35-25-13-12-22-6-4-5-7-24(22)16-25/h4-13,16-19H,14-15H2,1-3H3,(H,30,34)
InChIKeyLBSWFPNOCAZHJX-UHFFFAOYSA-N
XLogP5.79
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-naphthalen-2-yloxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-N-(2-naphthalen-2-yloxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 44580036) is 7-methyl-N-(2-naphthalen-2-yloxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-naphthalen-2-yloxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-N-(2-naphthalen-2-yloxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCOc2ccc3ccccc3c2)cnc2c(-c3ccc(C(C)C)cc3)cnn12.
What is the InChIKey of 7-methyl-N-(2-naphthalen-2-yloxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is LBSWFPNOCAZHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2/c1-19(2)21-8-10-23(11-9-21)27-18-32-33-20(3)26(17-31-28(27)33)29(34)30-14-15-35-25-13-12-22-6-4-5-7-24(22)16-25/h4-13,16-19H,14-15H2,1-3H3,(H,30,34).
What are the key properties of 7-methyl-N-(2-naphthalen-2-yloxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-methyl-N-(2-naphthalen-2-yloxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-naphthalen-2-yloxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 44580036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).