3,7-dimethyl-6-naphthalen-2-yl-4-oxo-N-(1-phenylcyclopropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C28H24N4O2 — CID 165379890

IUPAC3,7-dimethyl-6-naphthalen-2-yl-4-oxo-N-(1-phenylcyclopropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1c(C(=O)NC2(c3ccccc3)CC2)nn2c(C)c(-c3ccc4ccccc4c3)[nH]c(=O)c12
InChIInChI=1S/C28H24N4O2/c1-17-23(26(33)30-28(14-15-28)22-10-4-3-5-11-22)31-32-18(2)24(29-27(34)25(17)32)21-13-12-19-8-6-7-9-20(19)16-21/h3-13,16H,14-15H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyOQFXZQOYXVBGBD-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.88
Rot. Bonds4

About 3,7-dimethyl-6-naphthalen-2-yl-4-oxo-N-(1-phenylcyclopropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

3,7-dimethyl-6-naphthalen-2-yl-4-oxo-N-(1-phenylcyclopropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 165379890) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 3,7-dimethyl-6-naphthalen-2-yl-4-oxo-N-(1-phenylcyclopropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,7-dimethyl-6-naphthalen-2-yl-4-oxo-N-(1-phenylcyclopropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID165379890
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name3,7-dimethyl-6-naphthalen-2-yl-4-oxo-N-(1-phenylcyclopropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1c(C(=O)NC2(c3ccccc3)CC2)nn2c(C)c(-c3ccc4ccccc4c3)[nH]c(=O)c12
InChIInChI=1S/C28H24N4O2/c1-17-23(26(33)30-28(14-15-28)22-10-4-3-5-11-22)31-32-18(2)24(29-27(34)25(17)32)21-13-12-19-8-6-7-9-20(19)16-21/h3-13,16H,14-15H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyOQFXZQOYXVBGBD-UHFFFAOYSA-N
XLogP4.88
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-6-naphthalen-2-yl-4-oxo-N-(1-phenylcyclopropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 3,7-dimethyl-6-naphthalen-2-yl-4-oxo-N-(1-phenylcyclopropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 165379890) is 3,7-dimethyl-6-naphthalen-2-yl-4-oxo-N-(1-phenylcyclopropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 3,7-dimethyl-6-naphthalen-2-yl-4-oxo-N-(1-phenylcyclopropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 3,7-dimethyl-6-naphthalen-2-yl-4-oxo-N-(1-phenylcyclopropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1c(C(=O)NC2(c3ccccc3)CC2)nn2c(C)c(-c3ccc4ccccc4c3)[nH]c(=O)c12.
What is the InChIKey of 3,7-dimethyl-6-naphthalen-2-yl-4-oxo-N-(1-phenylcyclopropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is OQFXZQOYXVBGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-17-23(26(33)30-28(14-15-28)22-10-4-3-5-11-22)31-32-18(2)24(29-27(34)25(17)32)21-13-12-19-8-6-7-9-20(19)16-21/h3-13,16H,14-15H2,1-2H3,(H,29,34)(H,30,33).
What are the key properties of 3,7-dimethyl-6-naphthalen-2-yl-4-oxo-N-(1-phenylcyclopropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
3,7-dimethyl-6-naphthalen-2-yl-4-oxo-N-(1-phenylcyclopropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-6-naphthalen-2-yl-4-oxo-N-(1-phenylcyclopropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 165379890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).